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202d 2d3e tialdynamics -->\n-00006c90: 0a3c 6720 6964 3d22 6e6f 6465 3522 2063 .<g id=\"node5\" c\n-00006ca0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-00006cb0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00006cc0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00006cd0: 6479 6e61 6d69 6373 3c2f 7469 746c 653e dynamics\n-00006ce0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..essentiald\n-00006da0: 796e 616d 6963 733c 2f74 6578 743e 0a3c ynamics.<\n-00006db0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n-00006e30: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-00006e40: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-00006e50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00006e60: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00006e70: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00006ff0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00007060: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 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6963 7326 2334 ntialdynamics\n-00007680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00007690: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n-000076a0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-000076b0: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n-000076c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000076d0: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-000076e0: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n-000076f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00007700: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n-00007710: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00007720: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00007730: 2223 6266 6266 6266 2220 643d 224d 3333 \"#bfbfbf\" d=\"M33\n-00007740: 3539 2e34 312c 2d37 3334 2e33 3143 3333 59.41,-734.31C33\n-00007750: 3636 2e38 332c 2d37 3433 2e36 3320 3333 66.83,-743.63 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7469 mdrunutility</ti\n-00008200: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00008210: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00008220: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00008230: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00008240: 3d22 4d33 3239 382e 3731 2c2d 3733 302e =\"M3298.71,-730.\n-00008250: 3343 3331 3632 2e33 362c 2d37 3532 2e38 3C3162.36,-752.8\n-00008260: 3620 3237 3836 2e30 312c 2d38 3135 2e31 6 2786.01,-815.1\n-00008270: 3220 3236 3530 2e33 392c 2d38 3337 2e35 2 2650.39,-837.5\n-00008280: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n-00008290: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-000082a0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-000082b0: 696e 7473 3d22 3236 3439 2e35 382c 2d38 ints=\"2649.58,-8\n-000082c0: 3334 2e31 3420 3236 3430 2e32 382c 2d38 34.14 2640.28,-8\n-000082d0: 3339 2e32 3220 3236 3530 2e37 322c 2d38 39.22 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6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000ad50: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes --\n-0000ad60: 3e0a 3c67 2069 643d 2265 6467 6534 3822 >.<g id=\"edge48\"\n-0000ad70: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000ad80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000ad90: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-0000ada0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000adb0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0000adc0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......m\n-0000af40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000af50: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0000af60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000af70: 6373 5f6d 6174 683c 2f74 6974 6c65 3e0a cs_math.\n-0000af80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n-0000b260: 6163 735f 6d64 6c69 6226 2334 353b 2667 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322e 3332 2c2d 3132 3239 2e39 3282.32,-1229.9\n-0000b360: 3820 3333 3537 2e38 362c 2d31 3138 352e 8 3357.86,-1185.\n-0000b370: 3433 2033 3335 372e 3836 2c2d 3130 3336 43 3357.86,-1036\n-0000b380: 2e33 3620 3333 3537 2e38 362c 2d31 3033 .36 3357.86,-103\n-0000b390: 362e 3336 2033 3335 372e 3836 2c2d 3130 6.36 3357.86,-10\n-0000b3a0: 3336 2e33 3620 3333 3537 2e38 362c 2d39 36.36 3357.86,-9\n-0000b3b0: 3038 2e36 3220 3333 3537 2e38 362c 2d38 08.62 3357.86,-8\n-0000b3c0: 3439 2e32 3920 3333 3438 2e37 332c 2d37 49.29 3348.73,-7\n-0000b3d0: 3739 2e38 3420 3333 3436 2e37 332c 2d37 79.84 3346.73,-7\n-0000b3e0: 3434 2e37 3622 2f3e 0a3c 706f 6c79 676f 44.76\"/>...\n-0000b460: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-0000b4d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000b4e0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0000b4f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b500: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-0000b510: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-0000b6b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-0000b720: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000b730: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000b740: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0000b750: 706f 6c6f 6779 3c2f 7469 746c 653e 0a3c pology.<\n-0000b760: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000b770: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000b780: 2220 643d 224d 3137 3337 2e32 362c 2d31 \" d=\"M1737.26,-1\n-0000b790: 3430 312e 3543 3137 3930 2e33 322c 2d31 401.5C1790.32,-1\n-0000b7a0: 3336 372e 3935 2031 3935 382e 3134 2c2d 367.95 1958.14,-\n-0000b7b0: 3132 3534 2e30 3320 3230 3332 2e38 362c 1254.03 2032.86,\n-0000b7c0: 2d31 3131 312e 3636 2032 3036 302e 3539 -1111.66 2060.59\n-0000b7d0: 2c2d 3130 3538 2e38 3220 3231 3031 2e36 ,-1058.82 2101.6\n-0000b7e0: 392c 2d36 3338 2e33 3420 3231 3230 2e38 9,-638.34 2120.8\n-0000b7f0: 362c 2d35 3831 2e38 3320 3231 3431 2e32 6,-581.83 2141.2\n-0000b800: 2c2d 3532 312e 3836 2032 3134 352c 2d35 ,-521.86 2145,-5\n-0000b810: 3032 2e37 2032 3138 372e 3836 2c2d 3435 02.7 2187.86,-45\n-0000b820: 362e 3039 2032 3230 302e 3436 2c2d 3434 6.09 2200.46,-44\n-0000b830: 322e 3339 2032 3231 372e 3734 2c2d 3433 2.39 2217.74,-43\n-0000b840: 302e 3839 2032 3233 322e 3534 2c2d 3432 0.89 2232.54,-42\n-0000b850: 322e 3533 222f 3e0a 3c70 6f6c 7967 6f6e 2.53\"/>..\n-0000b8d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-0000b940: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000b950: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0000b960: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-0000b970: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-0000b980: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n-0000bc10: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0000bc20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000bc30: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio......module_\n-0000bde0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-0000bdf0: 6d3c 2f74 6974 6c65 3e0a 3c67 2069 643d m..\n-0000beb0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .nbnx\n-0000bf10: 6d3c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f m......m\n-0000bf90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000bfa0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-0000bfb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000bfc0: 6373 5f6e 626e 786d 3c2f 7469 746c 653e cs_nbnxm\n-0000bfd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......m\n-0000c2a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000c2b0: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling</title\n-0000c2c0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-0000c2d0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-0000c2e0: 3d22 626c 6163 6b22 2063 783d 2232 3735 =\"black\" cx=\"275\n-0000c2f0: 302e 3836 2220 6379 3d22 2d36 3538 2e31 0.86\" cy=\"-658.1\n-0000c300: 3422 2072 783d 2233 312e 3233 2220 7279 4\" rx=\"31.23\" ry\n-0000c310: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-0000c320: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-0000c330: 6464 6c65 2220 783d 2232 3735 302e 3836 ddle\" x=\"2750.86\n-0000c340: 2220 793d 222d 3635 352e 3634 2220 666f \" y=\"-655.64\" fo\n-0000c350: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-0000c360: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-0000c370: 3130 2e30 3022 3e70 756c 6c69 6e67 3c2f 10.00\">pulling</\n-0000c380: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20 text>.</g>.<!-- \n-0000c390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000c3a0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0000c3b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000c3c0: 6163 735f 7075 6c6c 696e 6720 2d2d 3e0a acs_pulling -->.\n-0000c3d0: 3c67 2069 643d 2265 6467 6534 3922 2063 <g id=\"edge49\" c\n-0000c3e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0000c3f0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0000c400: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-0000c410: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000c420: 6772 6f6d 6163 735f 7075 6c6c 696e 673c gromacs_pulling<\n-0000c430: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000c440: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000c450: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n-0000c460: 3734 382e 382c 2d31 3430 392e 3737 4331 748.8,-1409.77C1\n-0000c470: 3931 392e 3738 2c2d 3133 3939 2e30 3820 919.78,-1399.08 \n-0000c480: 3238 3137 2e33 392c 2d31 3334 332e 3034 2817.39,-1343.04\n-0000c490: 2032 3835 352e 3836 2c2d 3133 3030 2e32 2855.86,-1300.2\n-0000c4a0: 3720 3238 3633 2e38 352c 2d31 3239 312e 7 2863.85,-1291.\n-0000c4b0: 3339 2032 3835 392e 3933 2c2d 3132 3834 39 2859.93,-1284\n-0000c4c0: 2e36 3320 3238 3535 2e38 362c 2d31 3237 .63 2855.86,-127\n-0000c4d0: 332e 3420 3238 3438 2e37 372c 2d31 3235 3.4 2848.77,-125\n-0000c4e0: 332e 3832 2032 3833 342e 3334 2c2d 3132 3.82 2834.34,-12\n-0000c4f0: 3536 2e34 3220 3238 3235 2e38 362c 2d31 56.42 2825.86,-1\n-0000c500: 3233 372e 3420 3237 3830 2e31 2c2d 3131 237.4 2780.1,-11\n-0000c510: 3334 2e37 3920 3237 3530 2e36 342c 2d37 34.79 2750.64,-7\n-0000c520: 3736 2e38 3520 3237 3439 2e33 362c 2d36 76.85 2749.36,-6\n-0000c530: 3832 2e32 3322 2f3e 0a3c 706f 6c79 676f 82.23\"/>.<polygo\n-0000c540: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-0000c550: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000c560: 2220 706f 696e 7473 3d22 3237 3532 2e38 \" points=\"2752.8\n-0000c570: 362c 2d36 3832 2e30 3220 3237 3439 2e33 6,-682.02 2749.3\n-0000c580: 352c 2d36 3732 2e30 3320 3237 3435 2e38 5,-672.03 2745.8\n-0000c590: 362c 2d36 3832 2e30 3320 3237 3532 2e38 6,-682.03 2752.8\n-0000c5a0: 362c 2d36 3832 2e30 3222 2f3e 0a3c 2f67 6,-682.02\"/>.</g\n-0000c5b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0000c5c0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-0000c5d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000c5e0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0000c5f0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-0000c600: 6534 3422 2063 6c61 7373 3d22 6564 6765 e44\" class=\"edge\n-0000c610: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000c620: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000c630: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000c640: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0000c650: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec...\n-0000c7a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0000c820: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-0000c830: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000c840: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0000c850: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......modul\n-0000ca20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000ca30: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0000ca40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0000ca50: 6162 6c65 733c 2f74 6974 6c65 3e0a 3c70 ables....\n-0000cc60: 0a3c 6720 6964 3d22 6564 6765 3632 2220 ..module_src_\n-0000cc90: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-0000cca0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000ccb0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald......\n-0000cf20: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0000cf30: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-0000cf40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000cf50: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0000cf60: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty..<\n-0000d120: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0000d130: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0000d140: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0000d150: 3230 3734 2e36 362c 2d32 3232 2e35 3620 2074.66,-222.56 \n-0000d160: 3230 3834 2e36 352c 2d32 3139 2e30 3520 2084.65,-219.05 \n-0000d170: 3230 3734 2e36 352c 2d32 3135 2e35 3620 2074.65,-215.56 \n-0000d180: 3230 3734 2e36 362c 2d32 3232 2e35 3622 2074.66,-222.56\"\n-0000d190: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....\n-0000d200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d210: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-0000d220: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000d230: 6163 735f 7469 6d69 6e67 3c2f 7469 746c acs_timing</titl\n-0000d240: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000d250: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0000d260: 6266 6266 2220 643d 224d 3136 3932 2e34 bfbf\" d=\"M1692.4\n-0000d270: 322c 2d31 3431 312e 3232 4331 3634 302e 2,-1411.22C1640.\n-0000d280: 3135 2c2d 3134 3039 2e36 3120 3135 3236 15,-1409.61 1526\n-0000d290: 2e32 362c 2d31 3430 312e 3536 2031 3433 .26,-1401.56 143\n-0000d2a0: 392e 3836 2c2d 3133 3633 2e31 3420 3133 9.86,-1363.14 13\n-0000d2b0: 3938 2e35 342c 2d31 3334 342e 3737 2031 98.54,-1344.77 1\n-0000d2c0: 3339 332e 3939 2c2d 3133 3239 2e39 3320 393.99,-1329.93 \n-0000d2d0: 3133 3539 2e38 362c 2d31 3330 302e 3237 1359.86,-1300.27\n-0000d2e0: 2031 3334 362e 3834 2c2d 3132 3838 2e39 1346.84,-1288.9\n-0000d2f0: 3620 3133 3436 2e37 382c 2d31 3238 322e 6 1346.78,-1282.\n-0000d300: 3036 2031 3333 312e 3836 2c2d 3132 3733 06 1331.86,-1273\n-0000d310: 2e34 2031 3238 322e 3936 2c2d 3132 3435 .4 1282.96,-1245\n-0000d320: 2e30 3220 3132 3438 2e37 372c 2d31 3237 .02 1248.77,-127\n-0000d330: 382e 3432 2031 3230 392e 3836 2c2d 3132 8.42 1209.86,-12\n-0000d340: 3337 2e34 2031 3134 322e 3533 2c2d 3131 37.4 1142.53,-11\n-0000d350: 3636 2e34 3220 3131 3430 2e35 372c 2d31 66.42 1140.57,-1\n-0000d360: 3131 362e 3639 2031 3136 342e 3836 2c2d 116.69 1164.86,-\n-0000d370: 3130 3231 2e39 3220 3131 3838 2e36 332c 1021.92 1188.63,\n-0000d380: 2d39 3239 2e31 3920 3132 3036 2e37 332c -929.19 1206.73,\n-0000d390: 2d39 3036 2e31 3320 3132 3638 2e38 362c -906.13 1268.86,\n-0000d3a0: 2d38 3333 2e33 3120 3132 3938 2e32 312c -833.31 1298.21,\n-0000d3b0: 2d37 3938 2e39 3120 3133 3130 2e37 332c -798.91 1310.73,\n-0000d3c0: 2d37 3934 2e37 3520 3133 3438 2e38 362c -794.75 1348.86,\n-0000d3d0: 2d37 3730 2e34 3420 3133 3738 2e36 392c -770.44 1378.69,\n-0000d3e0: 2d37 3531 2e34 3220 3134 3031 2e32 352c -751.42 1401.25,\n-0000d3f0: 2d37 3634 2e35 3320 3134 3139 2e38 362c -764.53 1419.86,\n-0000d400: 2d37 3334 2e34 3420 3134 3535 2e35 352c -734.44 1455.55,\n-0000d410: 2d36 3736 2e37 3620 3133 3936 2e35 372c -676.76 1396.57,\n-0000d420: 2d36 3435 2e31 3620 3134 3230 2e38 362c -645.16 1420.86,\n-0000d430: 2d35 3831 2e38 3320 3134 3235 2e33 2c2d -581.83 1425.3,-\n-0000d440: 3537 302e 3236 2031 3433 332e 3839 2c2d 570.26 1433.89,-\n-0000d450: 3535 392e 3637 2031 3434 322e 3233 2c2d 559.67 1442.23,-\n-0000d460: 3535 312e 3336 222f 3e0a 3c70 6f6c 7967 551.36\"/>.<polyg\n-0000d470: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0000d480: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0000d490: 6622 2070 6f69 6e74 733d 2231 3434 342e f\" points=\"1444.\n-0000d4a0: 3736 2c2d 3535 332e 3739 2031 3434 392e 76,-553.79 1449.\n-0000d4b0: 372c 2d35 3434 2e34 3120 3134 3430 2c2d 7,-544.41 1440,-\n-0000d4c0: 3534 382e 3636 2031 3434 342e 3736 2c2d 548.66 1444.76,-\n-0000d4d0: 3535 332e 3739 222f 3e0a 3c2f 673e 0a3c 553.79\"/>.</g>.<\n-0000d4e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000d4f0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-0000d500: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000d510: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-0000d520: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-0000d530: 6564 6765 3539 2220 636c 6173 733d 2265 edge59\" class=\"e\n-0000d540: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000d550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d560: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-0000d570: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000d580: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n-0000d590: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000d5a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000d5b0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0000d5c0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0000d5d0: 643d 224d 3137 3439 2e32 352c 2d31 3431 d=\"M1749.25,-141\n-0000d5e0: 302e 3839 4331 3830 372e 3034 2c2d 3134 0.89C1807.04,-14\n-0000d5f0: 3038 2e37 3320 3139 3431 2e38 332c 2d31 08.73 1941.83,-1\n-0000d600: 3339 392e 3833 2032 3034 372e 3836 2c2d 399.83 2047.86,-\n-0000d610: 3133 3633 2e31 3420 3233 3231 2e36 312c 1363.14 2321.61,\n-0000d620: 2d31 3236 382e 3431 2032 3533 342e 342c -1268.41 2534.4,\n-0000d630: 2d39 3533 2e38 3920 3235 3837 2e38 352c -953.89 2587.85,\n-0000d640: 2d38 3639 2e30 3122 2f3e 0a3c 706f 6c79 -869.01\"/>.<poly\n-0000d650: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0000d660: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0000d670: 6363 2220 706f 696e 7473 3d22 3235 3930 cc\" points=\"2590\n-0000d680: 2e38 362c 2d38 3730 2e37 3920 3235 3933 .86,-870.79 2593\n-0000d690: 2e31 382c 2d38 3630 2e34 3620 3235 3834 .18,-860.46 2584\n-0000d6a0: 2e39 322c 2d38 3637 2e30 3920 3235 3930 .92,-867.09 2590\n-0000d6b0: 2e38 362c 2d38 3730 2e37 3922 2f3e 0a3c .86,-870.79\"/>.<\n-0000d6c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000d6d0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-0000d6e0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0000d6f0: 5f73 7263 5f67 726f 6d61 6373 5f73 696d _src_gromacs_sim\n-0000d700: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n-0000d710: 6535 3122 2063 6c61 7373 3d22 6564 6765 e51\" class=\"edge\n-0000d720: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000d730: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000d740: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000d750: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n-0000d760: 6d64 3c2f 7469 746c 653e 0a3c 7061 7468 md......module_src_grom\n-0000d990: 6163 735f 696d 643c 2f74 6974 6c65 3e0a acs_imd.\n-0000d9a0: 3c67 2069 643d 2261 5f6e 6f64 6533 3822 .\n-0000da50: 0a3c 7465 7874 2074 6578 742d 616e 6368 .imd\n-0000dab0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......modu\n-0000db30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000db40: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-0000db50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000db60: 696d 643c 2f74 6974 6c65 3e0a 3c70 6174 imd......module\n-0000de10: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-0000de20: 646f 6d3c 2f74 6974 6c65 3e0a 3c67 2069 dom...random.<\n-0000df50: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....<\n-0000dfc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000dfd0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n-0000dfe0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000dff0: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n-0000e000: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-0000e190: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n-0000e200: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000e210: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n-0000e220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000e230: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory</titl\n-0000e240: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000e250: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0000e260: 6266 6266 2220 643d 224d 3137 3439 2e34 bfbf\" d=\"M1749.4\n-0000e270: 342c 2d31 3431 3243 3138 3731 2e34 2c2d 4,-1412C1871.4,-\n-0000e280: 3134 3133 2e34 3220 3233 3630 2e31 312c 1413.42 2360.11,\n-0000e290: 2d31 3431 352e 3337 2032 3735 362e 3836 -1415.37 2756.86\n-0000e2a0: 2c2d 3133 3633 2e31 3420 3238 3132 2e33 ,-1363.14 2812.3\n-0000e2b0: 342c 2d31 3335 352e 3834 2032 3832 342e 4,-1355.84 2824.\n-0000e2c0: 392c 2d31 3334 362e 3738 2032 3837 392e 9,-1346.78 2879.\n-0000e2d0: 3836 2c2d 3133 3336 2e32 3720 3239 3736 86,-1336.27 2976\n-0000e2e0: 2e37 342c 2d31 3331 372e 3734 2033 3030 .74,-1317.74 300\n-0000e2f0: 372e 332c 2d31 3333 362e 3937 2033 3039 7.3,-1336.97 309\n-0000e300: 382e 3836 2c2d 3133 3030 2e32 3720 3331 8.86,-1300.27 31\n-0000e310: 3434 2e38 332c 2d31 3238 312e 3835 2033 44.83,-1281.85 3\n-0000e320: 3136 352e 3639 2c2d 3132 3830 2e30 3520 165.69,-1280.05 \n-0000e330: 3331 3930 2e38 362c 2d31 3233 372e 3420 3190.86,-1237.4 \n-0000e340: 3332 3936 2e34 342c 2d31 3035 382e 3533 3296.44,-1058.53\n-0000e350: 2033 3139 312e 3835 2c2d 3937 372e 3139 3191.85,-977.19\n-0000e360: 2033 3137 312e 3836 2c2d 3737 302e 3434 3171.86,-770.44\n-0000e370: 2033 3136 322e 3231 2c2d 3637 302e 3620 3162.21,-670.6 \n-0000e380: 3331 3534 2e37 352c 2d36 3436 2e30 3220 3154.75,-646.02 \n-0000e390: 3331 3439 2e38 362c 2d35 3435 2e38 3320 3149.86,-545.83 \n-0000e3a0: 3331 3439 2e32 382c 2d35 3333 2e39 2033 3149.28,-533.9 3\n-0000e3b0: 3134 392e 3235 2c2d 3533 302e 3839 2033 149.25,-530.89 3\n-0000e3c0: 3134 392e 3836 2c2d 3531 382e 3936 2033 149.86,-518.96 3\n-0000e3d0: 3135 302e 3239 2c2d 3531 302e 3620 3331 150.29,-510.6 31\n-0000e3e0: 3531 2e31 342c 2d35 3031 2e34 3720 3331 51.14,-501.47 31\n-0000e3f0: 3532 2e30 312c 2d34 3933 2e34 222f 3e0a 52.01,-493.4\"/>.\n-0000e400: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0000e410: 6266 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macs_mdlib-&\n-0000e500: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000e510: 6f6d 6163 735f 7062 6375 7469 6c3c 2f74 omacs_pbcutil</t\n-0000e520: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000e530: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000e540: 2362 6662 6662 6622 2064 3d22 4d31 3734 #bfbfbf\" d=\"M174\n-0000e550: 382e 372c 2d31 3430 392e 3432 4331 3738 8.7,-1409.42C178\n-0000e560: 392e 3736 2c2d 3134 3035 2e32 3920 3138 9.76,-1405.29 18\n-0000e570: 3638 2e30 352c 2d31 3339 332e 3737 2031 68.05,-1393.77 1\n-0000e580: 3932 362e 3836 2c2d 3133 3633 2e31 3420 926.86,-1363.14 \n-0000e590: 3231 3831 2e31 362c 2d31 3233 302e 3639 2181.16,-1230.69\n-0000e5a0: 2032 3232 322e 3437 2c2d 3131 3235 2e36 2222.47,-1125.6\n-0000e5b0: 3320 3233 3330 2e38 362c 2d38 3630 2e31 3 2330.86,-860.1\n-0000e5c0: 3820 3233 3537 2e32 2c2d 3739 352e 3636 8 2357.2,-795.66\n-0000e5d0: 2032 3334 332e 332c 2d37 3733 2e31 3620 2343.3,-773.16 \n-0000e5e0: 3233 3636 2e38 362c 2d37 3037 2e35 3720 2366.86,-707.57 \n-0000e5f0: 3233 3737 2e33 392c 2d36 3738 2e32 3520 2377.39,-678.25 \n-0000e600: 3233 3831 2e30 352c 2d36 3730 2e39 3320 2381.05,-670.93 \n-0000e610: 3233 3937 2e38 362c 2d36 3434 2e37 2032 2397.86,-644.7 2\n-0000e620: 3431 372e 3237 2c2d 3631 342e 3431 2032 417.27,-614.41 2\n-0000e630: 3431 382e 382c 2d36 3031 2e36 2032 3434 418.8,-601.6 244\n-0000e640: 382e 3836 2c2d 3538 312e 3833 2032 3438 8.86,-581.83 248\n-0000e650: 382e 3834 2c2d 3535 352e 3533 2032 3534 8.84,-555.53 254\n-0000e660: 332e 312c 2d35 3433 2e33 3420 3235 3739 3.1,-543.34 2579\n-0000e670: 2e39 312c 2d35 3337 2e38 222f 3e0a 3c70 .91,-537.8\"/>.<p\n-0000e680: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-0000e690: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-0000e6a0: 6662 6662 6622 2070 6f69 6e74 733d 2232 fbfbf\" points=\"2\n-0000e6b0: 3538 302e 3835 2c2d 3534 312e 3220 3235 580.85,-541.2 25\n-0000e6c0: 3930 2e32 372c 2d35 3336 2e33 3520 3235 90.27,-536.35 25\n-0000e6d0: 3739 2e38 382c 2d35 3334 2e32 3720 3235 79.88,-534.27 25\n-0000e6e0: 3830 2e38 352c 2d35 3431 2e32 222f 3e0a 80.85,-541.2\"/>.\n-0000e6f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0000e700: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0000e710: 7061 7420 2d2d 3e0a 3c67 2069 643d 226e pat -->.<g id=\"n\n-0000e720: 6f64 6534 3322 2063 6c61 7373 3d22 6e6f ode43\" class=\"no\n-0000e730: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n-0000e740: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0000e750: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c65 ompat..\n-0000e810: 636f 6d70 6174 3c2f 7465 7874 3e0a 3c2f compat....modul\n-0000e890: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000e8a0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0000e8b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0000e8c0: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat......module\n-0000eb30: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0000eb40: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-0000eb50: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000eb60: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib....\n-0000f6a0: 0a3c 6720 6964 3d22 6e6f 6465 3922 2063 ..module_src_g\n-0000f6d0: 726f 6d61 6373 5f6d 696d 6963 3c2f 7469 romacs_mimic..mimic<\n-0000f7a0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>...<\n-0000f7f0: 6720 6964 3d22 6564 6765 3730 2220 636c g id=\"edge70\" cl\n-0000f800: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000f820: 6f6d 6163 735f 6d69 6d69 6326 2334 353b omacs_mimic-\n-0000f830: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000f840: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib...<\n-0000fa40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-0000fab0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000fac0: 5f6d 696d 6963 2623 3435 3b26 6774 3b6d 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module_src_groma\n-0000fca0: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n-0000fcb0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000fcc0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0000fcd0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-0000fce0: 7272 6179 3d22 352c 3222 2064 3d22 4d32 rray=\"5,2\" d=\"M2\n-0000fcf0: 3032 372e 3035 2c2d 3435 362e 3033 4332 027.05,-456.03C2\n-0000fd00: 3033 352e 3338 2c2d 3432 342e 3035 2032 035.38,-424.05 2\n-0000fd10: 3035 392e 3135 2c2d 3333 362e 3837 2032 059.15,-336.87 2\n-0000fd20: 3038 372e 3836 2c2d 3236 372e 3438 2032 087.86,-267.48 2\n-0000fd30: 3039 312e 3636 2c2d 3235 382e 3320 3230 091.66,-258.3 20\n-0000fd40: 3936 2e35 342c 2d32 3438 2e35 3120 3231 96.54,-248.51 21\n-0000fd50: 3030 2e39 382c 2d32 3430 2e31 3522 2f3e 00.98,-240.15\"/>\n-0000fd60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0000fd70: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" 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6272 6126 2334 353b 2667 743b 6d6f gebra->mo\n-0000fe70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000fe80: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n-0000fe90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0000ffb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n-00010020: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00010030: 6861 7264 7761 7265 2623 3435 3b26 6774 hardware->\n-00010040: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010050: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-00010060: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00010070: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-00010080: 6422 2064 3d22 4d37 3831 2e31 2c2d 3936 d\" d=\"M781.1,-96\n-00010090: 2e39 3743 3839 342e 3639 2c2d 3130 382e .97C894.69,-108.\n-000100a0: 3132 2031 3234 362e 3831 2c2d 3134 322e 12 1246.81,-142.\n-000100b0: 3436 2031 3533 382e 3836 2c2d 3136 382e 46 1538.86,-168.\n-000100c0: 3631 2031 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-->.<g id=\"\n-000101b0: 6564 6765 3735 2220 636c 6173 733d 2265 edge75\" class=\"e\n-000101c0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000101d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000101e0: 6861 7264 7761 7265 2623 3435 3b26 6774 hardware->\n-000101f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010200: 6163 735f 7369 6d64 3c2f 7469 746c 653e acs_simd\n-00010210: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n-00010370: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n-00010380: 7761 7265 2623 3435 3b26 6774 3b6d 6f64 ware->mod\n-00010390: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000103a0: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-000103b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000103c0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000103d0: 6662 6622 2064 3d22 4d37 3535 2e33 392c fbf\" d=\"M755.39,\n-000103e0: 2d31 3035 2e34 3943 3736 302e 3331 2c2d -105.49C760.31,-\n-000103f0: 3131 332e 3039 2037 3635 2e35 372c 2d31 113.09 765.57,-1\n-00010400: 3233 2e31 2037 3639 2e34 382c 2d31 3332 23.1 769.48,-132\n-00010410: 2e30 3722 2f3e 0a3c 706f 6c79 676f 6e20 .07\"/>.<polygon \n-00010420: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00010430: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00010440: 706f 696e 7473 3d22 3736 362e 3331 2c2d points=\"766.31,-\n-00010450: 3133 332e 3535 2037 3733 2e32 342c 2d31 133.55 773.24,-1\n-00010460: 3431 2e35 3620 3737 322e 3832 2c2d 3133 41.56 772.82,-13\n-00010470: 302e 3938 2037 3636 2e33 312c 2d31 3333 0.98 766.31,-133\n-00010480: 2e35 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .55\"/>.</g>.<!--\n-00010490: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-000104a0: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-000104b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000104c0: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes 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2334 romacs_fileio\n-000109b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000109c0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-000109d0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....\n-00010b50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n-00010bc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010bd0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-00010be0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010bf0: 6d61 6373 5f6c 696e 6561 7261 6c67 6562 macs_linearalgeb\n-00010c00: 7261 3c2f 7469 746c 653e 0a3c 7061 7468 ra......modu\n-00010e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00010e60: 696c 6569 6f26 2334 353b 2667 743b 6d6f ileio->mo\n-00010e70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00010e80: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n-00010e90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00011000: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-00011070: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00011080: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n-00011090: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000110a0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-000110b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000110c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000110d0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-000110e0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-000110f0: 224d 3236 3535 2e38 362c 2d31 3135 392e \"M2655.86,-1159.\n-00011100: 3436 4332 3736 312e 3931 2c2d 3131 3536 46C2761.91,-1156\n-00011110: 2e37 3220 3331 3439 2e38 362c 2d31 3134 .72 3149.86,-114\n-00011120: 342e 3633 2033 3236 372e 3836 2c2d 3131 4.63 3267.86,-11\n-00011130: 3131 2e36 3620 3335 3333 2e38 322c 2d31 11.66 3533.82,-1\n-00011140: 3033 372e 3335 2033 3631 342e 3836 2c2d 037.35 3614.86,-\n-00011150: 3837 322e 3431 2033 3631 342e 3836 2c2d 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3438 1.65 3140.63,-48\n-000117e0: 322e 3235 2033 3133 302e 3935 2c2d 3438 2.25 3130.95,-48\n-000117f0: 362e 3535 2033 3133 352e 3735 2c2d 3439 6.55 3135.75,-49\n-00011800: 312e 3635 222f 3e0a 3c2f 673e 0a3c 212d 1.65\"/>.</g>.<!-\n-00011810: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00011820: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n-00011830: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00011840: 726f 6d61 6373 5f70 6263 7574 696c 202d romacs_pbcutil -\n-00011850: 2d3e 0a3c 6720 6964 3d22 6564 6765 3737 ->.<g id=\"edge77\n-00011860: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00011870: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00011880: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-00011890: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000118a0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-000118b0: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til......modul\n-00011b00: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00011b10: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00011b20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011b30: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n-00011b40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00011b50: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00011b60: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00011b70: 6179 3d22 352c 3222 2064 3d22 4d32 3630 ay=\"5,2\" d=\"M260\n-00011b80: 312e 3935 2c2d 3131 3539 2e39 3343 3234 1.95,-1159.93C24\n-00011b90: 3431 2e30 382c 2d31 3135 382e 3831 2031 41.08,-1158.81 1\n-00011ba0: 3630 352e 3035 2c2d 3131 3531 2e31 3220 605.05,-1151.12 \n-00011bb0: 3133 3531 2e38 362c 2d31 3131 312e 3636 1351.86,-1111.66\n-00011bc0: 2031 3234 382e 3835 2c2d 3130 3935 2e36 1248.85,-1095.6\n-00011bd0: 2031 3232 332e 3335 2c2d 3130 3835 2e37 1223.35,-1085.7\n-00011be0: 3520 3131 3235 2e38 362c 2d31 3034 382e 5 1125.86,-1048.\n-00011bf0: 3739 2039 3533 2e36 342c 2d39 3833 2e34 79 953.64,-983.4\n-00011c00: 3920 3837 352e 3935 2c2d 3130 3030 2e36 9 875.95,-1000.6\n-00011c10: 3820 3735 362e 3836 2c2d 3836 302e 3138 8 756.86,-860.18\n-00011c20: 2035 3736 2e38 312c 2d36 3437 2e37 3520 576.81,-647.75 \n-00011c30: 3831 342e 3031 2c2d 3236 382e 3636 2038 814.01,-268.66 8\n-00011c40: 3736 2e35 2c2d 3137 362e 3639 222f 3e0a 76.5,-176.69\"/>.\n-00011c50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n-00011cc0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00011d30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011d40: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n-00011d50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00011d60: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n-00011d70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-00011e90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011ea0: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00011eb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00011ec0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00011ed0: 5f66 6f72 6365 735f 6177 6820 2d2d 3e0a _forces_awh -->.\n-00011ee0: 3c67 2069 643d 2265 6467 6538 3422 2063 .module_src_g\n-00011f10: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-00011f20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00011f30: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00011f40: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh......mod\n-00012100: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012110: 7377 6170 3c2f 7469 746c 653e 0a3c 6720 swap...s\n-00012230: 7761 703c 2f74 6578 743e 0a3c 2f61 3e0a wap..\n-00012240: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....module_src_gro\n-000122c0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-000122d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000122e0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes......module_\n-000124e0: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n-000124f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00012500: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00012510: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..<\n-00012690: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000126a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-000126b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000126c0: 3137 3537 2e37 2c2d 3134 3034 2e30 3520 1757.7,-1404.05 \n-000126d0: 3137 3438 2e32 382c 2d31 3430 382e 3931 1748.28,-1408.91\n-000126e0: 2031 3735 382e 3637 2c2d 3134 3130 2e39 1758.67,-1410.9\n-000126f0: 3820 3137 3537 2e37 2c2d 3134 3034 2e30 8 1757.7,-1404.0\n-00012700: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>...<\n-00012750: 6720 6964 3d22 6564 6765 3937 2220 636c g id=\"edge97\" cl\n-00012760: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-00012780: 6f6d 6163 735f 7377 6170 2623 3435 3b26 omacs_swap-&\n-00012790: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000127a0: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology.\n-00012850: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n-00012930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012940: 5f73 7761 7026 2334 353b 2667 743b 6d6f _swap->mo\n-00012950: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012960: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n-00012970: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00012ab0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-00012b20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012b30: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-00012b40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012b50: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00012b60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00012b70: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00012b80: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00012b90: 6179 3d22 352c 3222 2064 3d22 4d32 3135 ay=\"5,2\" d=\"M215\n-00012ba0: 392e 3433 2c2d 3733 332e 3437 4332 3133 9.43,-733.47C213\n-00012bb0: 362e 3135 2c2d 3735 382e 3632 2032 3037 6.15,-758.62 207\n-00012bc0: 372e 3437 2c2d 3831 392e 3632 2032 3031 7.47,-819.62 201\n-00012bd0: 392e 3836 2c2d 3836 302e 3138 2031 3937 9.86,-860.18 197\n-00012be0: 302e 3633 2c2d 3839 342e 3835 2031 3935 0.63,-894.85 195\n-00012bf0: 342e 3835 2c2d 3839 382e 3532 2031 3839 4.85,-898.52 189\n-00012c00: 392e 3836 2c2d 3932 332e 3035 2031 3836 9.86,-923.05 186\n-00012c10: 382e 3436 2c2d 3933 372e 3036 2031 3833 8.46,-937.06 183\n-00012c20: 312e 3635 2c2d 3935 302e 3531 2031 3830 1.65,-950.51 180\n-00012c30: 352e 3233 2c2d 3935 392e 3636 222f 3e0a 5.23,-959.66\"/>.\n-00012c40: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-00012d30: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n-00012d40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00012d50: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility....\n-00012ea0: 0a3c 6720 6964 3d22 6564 6765 3936 2220 ..module_src_\n-00012ed0: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n-00012ee0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00012ef0: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing.....\n-000130c0: 3c67 2069 643d 2265 6467 6539 3322 2063 .module_src_g\n-000130f0: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n-00013100: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013110: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-00013120: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...<\n-00013250: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-000132c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-000132d0: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n-000132e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-000132f0: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n-00013300: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00013310: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00013320: 2220 643d 224d 3231 3834 2e39 322c 2d37 \" d=\"M2184.92,-7\n-00013330: 3039 2e37 4332 3139 382e 3834 2c2d 3730 09.7C2198.84,-70\n-00013340: 302e 3038 2032 3232 302c 2d36 3835 2e32 0.08 2220,-685.2\n-00013350: 2032 3233 372e 3836 2c2d 3637 312e 3537 2237.86,-671.57\n-00013360: 2032 3238 382e 3033 2c2d 3633 332e 3331 2288.03,-633.31\n-00013370: 2032 3239 302e 3531 2c2d 3630 382e 3133 2290.51,-608.13\n-00013380: 2032 3334 372e 3836 2c2d 3538 312e 3833 2347.86,-581.83\n-00013390: 2032 3432 342e 3332 2c2d 3534 362e 3737 2424.32,-546.77\n-000133a0: 2032 3532 332e 3539 2c2d 3533 372e 3031 2523.59,-537.01\n-000133b0: 2032 3537 382e 3931 2c2d 3533 342e 3334 2578.91,-534.34\n-000133c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....module_src_grom\n-000134b0: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n-000134c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000134d0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib..\n-00013580: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....<\n-00013660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00013670: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n-00013680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00013690: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-000136a0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mod\n-000138e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000138f0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-00013900: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013910: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n-00013920: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00013930: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00013940: 2223 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342c 2d31 129.83 985.44,-1\n-00013c00: 3132 362e 3632 2031 3030 382e 3836 2c2d 126.62 1008.86,-\n-00013c10: 3131 3437 2e36 3620 3130 3139 2e39 332c 1147.66 1019.93,\n-00013c20: 2d31 3135 372e 3631 2031 3031 382e 3437 -1157.61 1018.47\n-00013c30: 2c2d 3131 3633 2e38 3720 3130 3238 2e38 ,-1163.87 1028.8\n-00013c40: 362c 2d31 3137 342e 3533 2031 3034 342e 6,-1174.53 1044.\n-00013c50: 3634 2c2d 3131 3930 2e37 3320 3130 3838 64,-1190.73 1088\n-00013c60: 2e38 2c2d 3132 3236 2e39 3620 3131 3038 .8,-1226.96 1108\n-00013c70: 2e38 362c 2d31 3233 372e 3420 3131 3537 .86,-1237.4 1157\n-00013c80: 2e38 372c 2d31 3236 322e 3931 2031 3138 .87,-1262.91 118\n-00013c90: 322e 3138 2c2d 3132 3432 2e33 3120 3132 2.18,-1242.31 12\n-00013ca0: 3237 2e38 362c 2d31 3237 332e 3420 3132 27.86,-1273.4 12\n-00013cb0: 3639 2e39 2c2d 3133 3032 2e30 3220 3132 69.9,-1302.02 12\n-00013cc0: 3534 2e33 392c 2d31 3333 382e 3436 2031 54.39,-1338.46 1\n-00013cd0: 3239 382e 3836 2c2d 3133 3633 2e31 3420 298.86,-1363.14 \n-00013ce0: 3133 3634 2e37 322c 2d31 3339 392e 3720 1364.72,-1399.7 \n-00013cf0: 3135 3930 2e39 2c2d 3134 3038 2e37 2031 1590.9,-1408.7 1\n-00013d00: 3638 322e 3238 2c2d 3134 3130 2e38 3922 682.28,-1410.89\"\n-00013d10: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00013d20: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00013d30: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-00013d40: 7473 3d22 3136 3832 2e34 2c2d 3134 3134 ts=\"1682.4,-1414\n-00013d50: 2e33 3920 3136 3932 2e34 382c 2d31 3431 .39 1692.48,-141\n-00013d60: 312e 3131 2031 3638 322e 3536 2c2d 3134 1.11 1682.56,-14\n-00013d70: 3037 2e33 3920 3136 3832 2e34 2c2d 3134 07.39 1682.4,-14\n-00013d80: 3134 2e33 3922 2f3e 0a3c 2f67 3e0a 3c21 14.39\"/>.</g>.<!\n-00013d90: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00013da0: 6f6d 6163 735f 6e62 6e78 6d26 2334 353b omacs_nbnxm-\n-00013db0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013dc0: 726f 6d61 6373 5f74 6f70 6f6c 6f67 7920 romacs_topology \n-00013dd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00013de0: 3037 2220 636c 6173 733d 2265 6467 6522 07\" class=\"edge\"\n-00013df0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00013e00: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-00013e10: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n-00013e20: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-00013e30: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c70 ology....<\n-00013f80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00013f90: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-00013fa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00013fb0: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n-00013fc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-00013ff0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-00014000: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n-00014010: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-00014020: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-00014030: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00014040: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00014050: 224d 3933 342e 3239 2c2d 3539 302e 3333 \"M934.29,-590.33\n-00014060: 4338 3437 2e35 332c 2d35 3738 2e35 3420 C847.53,-578.54 \n-00014070: 3630 322e 3634 2c2d 3534 302e 3720 3534 602.64,-540.7 54\n-00014080: 392e 3836 2c2d 3438 322e 3936 2034 3838 9.86,-482.96 488\n-00014090: 2e36 372c 2d34 3136 2e30 3220 3531 342e .67,-416.02 514.\n-000140a0: 3836 2c2d 3337 322e 3631 2035 3134 2e38 86,-372.61 514.8\n-000140b0: 362c 2d32 3831 2e39 3220 3531 342e 3836 6,-281.92 514.86\n-000140c0: 2c2d 3238 312e 3932 2035 3134 2e38 362c ,-281.92 514.86,\n-000140d0: 2d32 3831 2e39 3220 3531 342e 3836 2c2d -281.92 514.86,-\n-000140e0: 3231 372e 3035 2035 3134 2e38 362c 2d31 217.05 514.86,-1\n-000140f0: 3830 2e31 3420 3532 312e 342c 2d31 3635 80.14 521.4,-165\n-00014100: 2e32 3420 3534 392e 3836 2c2d 3134 312e .24 549.86,-141.\n-00014110: 3734 2035 3930 2e35 342c 2d31 3038 2e31 74 590.54,-108.1\n-00014120: 3520 3635 312e 3239 2c2d 3937 2e33 3720 5 651.29,-97.37 \n-00014130: 3639 332e 3934 2c2d 3934 2e31 3622 2f3e 693.94,-94.16\"/>\n-00014140: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n-00014220: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-00014230: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00014240: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec......module_src_gro\n-00014450: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-00014460: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00014470: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility...<\n-000145c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00014630: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00014640: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-00014650: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014660: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n-00014670: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n-000147c0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-000147d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000147e0: 6f6d 6163 735f 7369 6d64 3c2f 7469 746c omacs_simd..\n-00014930: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-000149a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000149b0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-000149c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000149d0: 6163 735f 7062 6375 7469 6c3c 2f74 6974 acs_pbcutil</tit\n-000149e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000149f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00014a00: 6662 6662 6622 2064 3d22 4d39 3935 2e35 fbfbf\" d=\"M995.5\n-00014a10: 392c 2d35 3930 2e37 3143 3130 3231 2e34 9,-590.71C1021.4\n-00014a20: 392c 2d35 3837 2e38 3520 3130 3539 2e35 9,-587.85 1059.5\n-00014a30: 352c 2d35 3833 2e39 3720 3130 3932 2e38 5,-583.97 1092.8\n-00014a40: 362c 2d35 3831 2e38 3320 3136 3831 2e37 6,-581.83 1681.7\n-00014a50: 312c 2d35 3433 2e39 3420 3234 3030 2e32 1,-543.94 2400.2\n-00014a60: 2c2d 3533 352e 3333 2032 3537 392e 3036 ,-535.33 2579.06\n-00014a70: 2c2d 3533 332e 3732 222f 3e0a 3c70 6f6c ,-533.72\"/>.<pol\n-00014a80: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-00014a90: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-00014aa0: 6662 6622 2070 6f69 6e74 733d 2232 3537 fbf\" points=\"257\n-00014ab0: 392e 3133 2c2d 3533 372e 3232 2032 3538 9.13,-537.22 258\n-00014ac0: 392e 312c 2d35 3333 2e36 3320 3235 3739 9.1,-533.63 2579\n-00014ad0: 2e30 372c 2d35 3330 2e32 3220 3235 3739 .07,-530.22 2579\n-00014ae0: 2e31 332c 2d35 3337 2e32 3222 2f3e 0a3c .13,-537.22\"/>.<\n-00014af0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00014b00: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-00014b10: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n-00014b20: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00014b30: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n-00014b40: 6467 6531 3031 2220 636c 6173 733d 2265 dge101\" class=\"e\n-00014b50: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00014b60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00014b70: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-00014b80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014b90: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-00014ba0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00014ce0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00014cf0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-00014d00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014d10: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n-00014d20: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->..module\n-00014d50: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n-00014d60: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n-00014d70: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00014d80: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00014d90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-00014ee0: 7372 635f 6772 6f6d 6163 735f 656e 6572 src_gromacs_ener\n-00014ef0: 6779 616e 616c 7973 6973 3c2f 7469 746c gyanalysis</titl\n-00014f00: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n-00014f10: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00014f20: 653d 2262 6c61 636b 2220 6378 3d22 3237 e=\"black\" cx=\"27\n-00014f30: 3631 2e38 3622 2063 793d 222d 3136 3634 61.86\" cy=\"-1664\n-00014f40: 2e30 3622 2072 783d 2235 362e 3634 2220 .06\" rx=\"56.64\" \n-00014f50: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n-00014f60: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n-00014f70: 6d69 6464 6c65 2220 783d 2232 3736 312e middle\" x=\"2761.\n-00014f80: 3836 2220 793d 222d 3136 3631 2e35 3622 86\" y=\"-1661.56\"\n-00014f90: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n-00014fa0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n-00014fb0: 653d 2231 302e 3030 223e 656e 6572 6779 e=\"10.00\">energy\n-00014fc0: 616e 616c 7973 6973 3c2f 7465 7874 3e0a analysis</text>.\n-00014fd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00014fe0: 5f73 7263 5f67 726f 6d61 6373 5f65 6e65 _src_gromacs_ene\n-00014ff0: 7267 7961 6e61 6c79 7369 7326 2334 353b rgyanalysis-\n-00015000: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00015010: 726f 6d61 6373 5f67 6d78 616e 6120 2d2d romacs_gmxana --\n-00015020: 3e0a 3c67 2069 643d 2265 6467 6531 3130 >.<g id=\"edge110\n-00015030: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00015040: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00015050: 635f 6772 6f6d 6163 735f 656e 6572 6779 c_gromacs_energy\n-00015060: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-00015070: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015080: 6163 735f 676d 7861 6e61 3c2f 7469 746c acs_gmxana</titl\n-00015090: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000150a0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n-000150b0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n-000150c0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000150d0: 4d32 3735 372e 3633 2c2d 3136 3530 2e32 M2757.63,-1650.2\n-000150e0: 3843 3237 3530 2e36 392c 2d31 3632 392e 8C2750.69,-1629.\n-000150f0: 3333 2032 3733 362e 382c 2d31 3538 372e 33 2736.8,-1587.\n-00015100: 3433 2032 3732 382e 3232 2c2d 3135 3631 43 2728.22,-1561\n-00015110: 2e35 3322 2f3e 0a3c 706f 6c79 676f 6e20 .53\"/>.<polygon \n-00015120: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n-00015130: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" 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7372 635f 6772 gt;module_src_gr\n-00015230: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n-00015240: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00015250: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00015260: 2362 6662 6662 6622 2064 3d22 4d32 3737 #bfbfbf\" d=\"M277\n-00015270: 322e 3333 2c2d 3636 382e 3031 4332 3739 2.33,-668.01C279\n-00015280: 312e 362c 2d36 3736 2e35 3520 3238 3230 1.6,-676.55 2820\n-00015290: 2e31 322c 2d36 3930 2e36 3320 3238 3431 .12,-690.63 2841\n-000152a0: 2e38 362c 2d37 3037 2e35 3720 3239 3234 .86,-707.57 2924\n-000152b0: 2e30 312c 2d37 3731 2e35 3620 3239 3434 .01,-771.56 2944\n-000152c0: 2e33 2c2d 3739 382e 3638 2032 3938 302e .3,-798.68 2980.\n-000152d0: 3836 2c2d 3839 362e 3138 2033 3032 322e 86,-896.18 3022.\n-000152e0: 3333 2c2d 3130 3036 2e37 3520 3330 3431 33,-1006.75 3041\n-000152f0: 2e39 342c 2d31 3336 362e 3634 2032 3933 .94,-1366.64 293\n-00015300: 392e 3836 2c2d 3134 3236 2e30 3120 3238 9.86,-1426.01 28\n-00015310: 3539 2e30 312c 2d31 3437 332e 3033 2032 59.01,-1473.03 2\n-00015320: 3139 352e 3033 2c2d 3134 3735 2e30 3120 195.03,-1475.01 \n-00015330: 3230 3039 2e30 392c 2d31 3437 342e 3633 2009.09,-1474.63\n-00015340: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-00015350: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00015360: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-00015370: 6e74 733d 2232 3030 392e 3037 2c2d 3134 nts=\"2009.07,-14\n-00015380: 3731 2e31 3320 3139 3939 2e30 372c 2d31 71.13 1999.07,-1\n-00015390: 3437 342e 3631 2032 3030 392e 3036 2c2d 474.61 2009.06,-\n-000153a0: 3134 3738 2e31 3320 3230 3039 2e30 372c 1478.13 2009.07,\n-000153b0: 2d31 3437 312e 3133 222f 3e0a 3c2f 673e -1471.13\"/>.</g>\n-000153c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-000153d0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-000153e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000153f0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00015400: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-00015410: 6531 3230 2220 636c 6173 733d 2265 6467 e120\" class=\"edg\n-00015420: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00015430: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00015440: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-00015450: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015460: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-00015470: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00015480: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00015490: 2220 643d 224d 3237 3534 2e31 332c 2d36 \" d=\"M2754.13,-6\n-000154a0: 3731 2e35 3443 3237 3636 2e31 342c 2d37 71.54C2766.14,-7\n-000154b0: 3435 2e36 3620 3237 3936 2e31 342c 2d31 45.66 2796.14,-1\n-000154c0: 3133 302e 3339 2032 3834 332e 3836 2c2d 130.39 2843.86,-\n-000154d0: 3132 3337 2e34 2032 3835 322e 3334 2c2d 1237.4 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6c6c 3d22 6e6f >.<path fill=\"no\n-000156b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000156c0: 6662 6622 2064 3d22 4d32 3734 372e 3439 fbf\" d=\"M2747.49\n-000156d0: 2c2d 3634 342e 3733 4332 3734 322e 3933 ,-644.73C2742.93\n-000156e0: 2c2d 3632 392e 3233 2032 3733 332e 3835 ,-629.23 2733.85\n-000156f0: 2c2d 3630 322e 3236 2032 3732 302e 3836 ,-602.26 2720.86\n-00015700: 2c2d 3538 312e 3833 2032 3730 302e 332c ,-581.83 2700.3,\n-00015710: 2d35 3439 2e34 3920 3236 3934 2e35 312c -549.49 2694.51,\n-00015720: 2d35 3339 2e30 3220 3236 3631 2e38 362c -539.02 2661.86,\n-00015730: 2d35 3138 2e39 3620 3235 3436 2e39 312c -518.96 2546.91,\n-00015740: 2d34 3438 2e33 3620 3233 3836 2e32 2c2d -448.36 2386.2,-\n-00015750: 3432 312e 3436 2032 3330 382e 352c 2d34 421.46 2308.5,-4\n-00015760: 3132 2e31 3322 2f3e 0a3c 706f 6c79 676f 12.13\"/>.<polygo\n-00015770: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-00015780: 2073 7472 6f6b 653d 2223 6266 6266 6266 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743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00015880: 5f67 726f 6d61 6373 5f6c 696e 6561 7261 _gromacs_lineara\n-00015890: 6c67 6562 7261 3c2f 7469 746c 653e 0a3c lgebra.<\n-000158a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000158b0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000158c0: 2220 643d 224d 3237 3738 2e36 392c 2d36 \" d=\"M2778.69,-6\n-000158d0: 3532 2e30 3643 3238 3833 2e33 312c 2d36 52.06C2883.31,-6\n-000158e0: 3332 2e35 3320 3332 3531 2e36 332c 2d35 32.53 3251.63,-5\n-000158f0: 3539 2e34 3420 3333 3339 2e38 362c 2d34 59.44 3339.86,-4\n-00015900: 3832 2e39 3620 3333 3936 2e32 352c 2d34 82.96 3396.25,-4\n-00015910: 3334 2e30 3920 3333 3635 2e36 2c2d 3339 34.09 3365.6,-39\n-00015920: 302e 3433 2033 3430 392e 3836 2c2d 3333 0.43 3409.86,-33\n-00015930: 302e 3335 2033 3431 382e 3033 2c2d 3331 0.35 3418.03,-31\n-00015940: 392e 3236 2033 3432 392e 3037 2c2d 3330 9.26 3429.07,-30\n-00015950: 382e 3820 3334 3339 2e30 352c 2d33 3030 8.8 3439.05,-300\n-00015960: 2e34 3722 2f3e 0a3c 706f 6c79 676f 6e20 .47\"/>...<\n-000159e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000159f0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-00015a00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00015a10: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-00015a20: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-00015a50: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n-00015a60: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n-00015a70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015a80: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-00015a90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00015aa0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00015ab0: 2220 643d 224d 3237 3631 2e38 332c 2d36 \" d=\"M2761.83,-6\n-00015ac0: 3730 2e39 3743 3237 3934 2e38 382c 2d37 70.97C2794.88,-7\n-00015ad0: 3038 2e31 2032 3838 382e 3936 2c2d 3832 08.1 2888.96,-82\n-00015ae0: 352e 3632 2032 3835 312e 3836 2c2d 3932 5.62 2851.86,-92\n-00015af0: 332e 3035 2032 3833 312e 3234 2c2d 3937 3.05 2831.24,-97\n-00015b00: 372e 3220 3237 3030 2e35 342c 2d31 3039 7.2 2700.54,-109\n-00015b10: 362e 3732 2032 3634 392e 3337 2c2d 3131 6.72 2649.37,-11\n-00015b20: 3432 2e31 3222 2f3e 0a3c 706f 6c79 676f 42.12\"/>.\n-00015ba0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n-00015c20: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n-00015c30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00015c40: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec......mo\n-00015e50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015e60: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n-00015e70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015e80: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n-00015e90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00015ea0: 6c6c 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cutil......m\n-00016960: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016970: 735f 6f70 7469 6f6e 7326 2334 353b 2667 s_options-&g\n-00016980: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00016990: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n-000169a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000169b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-000169c0: 6564 2220 643d 224d 3339 3538 2e36 372c ed\" d=\"M3958.67,\n-000169d0: 2d35 3831 2e36 3343 3339 3536 2e36 382c -581.63C3956.68,\n-000169e0: 2d35 3539 2e32 3620 3339 3532 2e38 362c -559.26 3952.86,\n-000169f0: 2d35 3131 2e31 3920 3339 3532 2e38 362c -511.19 3952.86,\n-00016a00: 2d34 3730 2e35 3320 3339 3532 2e38 362c -470.53 3952.86,\n-00016a10: 2d34 3730 2e35 3320 3339 3532 2e38 362c -470.53 3952.86,\n-00016a20: 2d34 3730 2e35 3320 3339 3532 2e38 362c -470.53 3952.86,\n-00016a30: 2d33 3432 2e37 3920 3339 3532 2e38 362c -342.79 3952.86,\n-00016a40: 2d32 3935 2e35 3520 3339 3231 2e32 332c -295.55 3921.23,\n-00016a50: 2d32 3836 2e32 2033 3837 372e 3836 2c2d -286.2 3877.86,-\n-00016a60: 3236 372e 3438 2033 3739 352e 3932 2c2d 267.48 3795.92,-\n-00016a70: 3233 322e 3132 2032 3430 322e 3137 2c2d 232.12 2402.17,-\n-00016a80: 3232 312e 3031 2032 3135 312e 3336 2c2d 221.01 2151.36,-\n-00016a90: 3231 392e 3239 222f 3e0a 3c70 6f6c 7967 219.29\"/>.<polyg\n-00016aa0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n-00016ab0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n-00016ac0: 733d 2232 3135 312e 3239 2c2d 3231 352e s=\"2151.29,-215.\n-00016ad0: 3739 2032 3134 312e 3237 2c2d 3231 392e 79 2141.27,-219.\n-00016ae0: 3233 2032 3135 312e 3235 2c2d 3232 322e 23 2151.25,-222.\n-00016af0: 3739 2032 3135 312e 3239 2c2d 3231 352e 79 2151.29,-215.\n-00016b00: 3739 222f 3e0a 3c2f 673e 0a3c 212d 2d20 79\"/>.</g>.<!-- \n-00016b10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00016b20: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-00016b30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00016b40: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n-00016b50: 0a3c 6720 6964 3d22 6564 6765 3132 3522 .<g id=\"edge125\"\n-00016b60: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00016b70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00016b80: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00016b90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00016ba0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-00016bb0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es.....\n-00017100: 3c67 2069 643d 2265 6467 6531 3237 2220 .module_src_\n-00017130: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00017140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00017150: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-00017160: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy....\n-00017320: 0a3c 6720 6964 3d22 6564 6765 3133 3722 ..<\n-00017340: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00017350: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00017360: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00017370: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-00017380: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......module_src_grom\n-000175f0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-00017600: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00017610: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio....\n-00017740: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-000177b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-000177c0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-000177d0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-000177e0: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm....<\n-00017970: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017980: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00017990: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000179a0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-000179b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-000179e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-000179f0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-00017a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-00017a10: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n-00017a20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017a30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00017a40: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00017a50: 6179 3d22 352c 3222 2064 3d22 4d31 3830 ay=\"5,2\" d=\"M180\n-00017a60: 362c 2d39 3731 2e38 3543 3139 3233 2e39 6,-971.85C1923.9\n-00017a70: 352c 2d39 3732 2e34 3520 3232 3935 2e34 5,-972.45 2295.4\n-00017a80: 362c 2d39 3730 2e32 3120 3234 3034 2e38 6,-970.21 2404.8\n-00017a90: 362c 2d39 3233 2e30 3520 3234 3432 2e39 6,-923.05 2442.9\n-00017aa0: 362c 2d39 3036 2e36 3320 3234 3434 2e33 6,-906.63 2444.3\n-00017ab0: 372c 2d38 3839 2e33 3620 3234 3733 2e38 7,-889.36 2473.8\n-00017ac0: 362c 2d38 3630 2e31 3820 3234 3835 2e34 6,-860.18 2485.4\n-00017ad0: 352c 2d38 3438 2e37 3120 3234 3836 2e36 5,-848.71 2486.6\n-00017ae0: 312c 2d38 3434 2e30 3920 3234 3938 2e38 1,-844.09 2498.8\n-00017af0: 362c 2d38 3333 2e33 3120 3235 3734 2e30 6,-833.31 2574.0\n-00017b00: 392c 2d37 3637 2e31 3120 3236 3734 2e30 9,-767.11 2674.0\n-00017b10: 352c 2d37 3031 2e37 2032 3732 322e 3532 5,-701.7 2722.52\n-00017b20: 2c2d 3637 332e 3534 222f 3e0a 3c70 6f6c ,-673.54\"/>..\n-00017ba0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00017c10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017c20: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-00017c30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00017c40: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n-00017c50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-00017e00: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-00017e10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00017e20: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility..\n-00017f30: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n-00018020: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-00018030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018040: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing..\n-000181f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n-00018240: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00018250: 6472 756e 3c2f 7469 746c 653e 0a3c 6720 drun...mdrun....\n-000183d0: 0a3c 6720 6964 3d22 6564 6765 3133 3822 ..<\n-000183f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00018400: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-00018410: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00018420: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00018430: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n-000185a0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-000185b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000185c0: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c romacs_imd.....\n-00018730: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00018740: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00018750: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-00018760: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n-00018770: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util......\n-00018920: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00018930: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00018940: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00018950: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n-00018960: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 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ec->modul\n-00018d00: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00018d10: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00018d20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00018f10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00018f20: 726f 6d61 6373 5f66 6674 202d 2d3e 0a3c romacs_fft -->.<\n-00018f30: 6720 6964 3d22 6e6f 6465 3230 2220 636c g id=\"node20\" cl\n-00018f40: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-00018f60: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft..fft.<\n-00019030: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n-000190a0: 7372 635f 6772 6f6d 6163 735f 6666 7426 src_gromacs_fft&\n-000190b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000190c0: 7263 5f67 726f 6d61 6373 5f6d 6174 683c rc_gromacs_math<\n-000190d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000190e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000190f0: 3d22 7265 6422 2064 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353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000194a0: 5f67 726f 6d61 6373 5f74 696d 696e 673c _gromacs_timing<\n-000194b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000194c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000194d0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-000194e0: 3135 332e 3737 2c2d 3538 392e 3734 4331 153.77,-589.74C1\n-000194f0: 3231 322e 3034 2c2d 3537 392e 3135 2031 212.04,-579.15 1\n-00019500: 3335 372e 3531 2c2d 3535 322e 3732 2031 357.51,-552.72 1\n-00019510: 3432 362e 3437 2c2d 3534 302e 3139 222f 426.47,-540.19\"/\n-00019520: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00019530: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00019540: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00019550: 733d 2231 3432 372e 3235 2c2d 3534 332e s=\"1427.25,-543.\n-00019560: 3620 3134 3336 2e34 372c 2d35 3338 2e33 6 1436.47,-538.3\n-00019570: 3720 3134 3236 2c2d 3533 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3539 2c2d 3137 392e 3333 2037 3836 2e30 59,-179.33 786.0\n-00019750: 342c 2d31 3736 2e36 3122 2f3e 0a3c 2f67 4,-176.61\"/>.</g\n-00019760: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00019770: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00019780: 646c 696e 6526 2334 353b 2667 743b 6d6f dline->mo\n-00019790: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000197a0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n-000197b0: 643d 2265 6467 6531 3438 2220 636c 6173 d=\"edge148\" clas\n-000197c0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-000197d0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-000197e0: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n-000197f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00019800: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00019810: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o..\n-00019930: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n-00019980: 0a3c 6720 6964 3d22 6564 6765 3134 3722 ..<\n-000199a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000199b0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-000199c0: 6c69 6e65 2623 3435 3b26 6774 3b6d 6f64 line->mod\n-000199d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000199e0: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n-000199f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-00019b70: 3c67 2069 643d 226e 6f64 6532 3322 2063 .module_src_g\n-00019ba0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n-00019bb0: 703c 2f74 6974 6c65 3e0a 3c67 2069 643d p...onlinehe\n-00019ce0: 6c70 3c2f 7465 7874 3e0a 3c2f 613e 0a3c lp..<\n-00019cf0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>....modu\n-00019d70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00019d80: 6f6d 6d61 6e64 6c69 6e65 2623 3435 3b26 ommandline-&\n-00019d90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019da0: 6f6d 6163 735f 6f6e 6c69 6e65 6865 6c70 omacs_onlinehelp\n-00019db0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00019f90: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n-0001a010: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n-0001a020: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a030: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0001a040: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......module_\n-0001a260: 7372 635f 6772 6f6d 6163 735f 7461 626c src_gromacs_tabl\n-0001a270: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001a280: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0001a290: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......module_src_gro\n-0001a4c0: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n-0001a4d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001a4e0: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math.\n-0001a630: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-0001a6f0: 6720 6964 3d22 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odule_src_gromac\n-0001ab70: 735f 6d64 7370 616e 202d 2d3e 0a3c 6720 s_mdspan -->.<g \n-0001ab80: 6964 3d22 6564 6765 3135 3322 2063 6c61 id=\"edge153\" cla\n-0001ab90: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0001aba0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0001abb0: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n-0001abc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001abd0: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74 romacs_mdspan</t\n-0001abe0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001abf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001ac00: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001ac10: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001ac20: 643d 224d 3130 3131 2e38 2c2d 3930 322e d=\"M1011.8,-902.\n-0001ac30: 3543 3130 3439 2e39 382c 2d38 3933 2e31 5C1049.98,-893.1\n-0001ac40: 3620 3131 3139 2e30 322c 2d38 3734 2e38 6 1119.02,-874.8\n-0001ac50: 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3522 2063 g id=\"edge165\" c\n-0001b920: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001b940: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-0001b950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001b960: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib.\n-0001bb00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-0001bbf0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0001bc00: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-0001bc10: 5f73 7263 5f67 726f 6d61 6373 5f74 6f70 _src_gromacs_top\n-0001bc20: 6f6c 6f67 793c 2f74 6974 6c65 3e0a 3c70 ology......module_src_gro\n-0001c070: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n-0001c080: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c090: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm.\n-0001c120: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0001c190: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-0001c200: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c210: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n-0001c220: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c230: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n-0001c240: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c250: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0001c260: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-0001c270: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001c280: 3131 3638 2e36 342c 2d36 3637 2e30 3843 1168.64,-667.08C\n-0001c290: 3131 3836 2e34 392c 2d36 3735 2e37 3320 1186.49,-675.73 \n-0001c2a0: 3132 3130 2e39 372c 2d36 3930 2e36 3320 1210.97,-690.63 \n-0001c2b0: 3132 3238 2e38 362c 2d37 3037 2e35 3720 1228.86,-707.57 \n-0001c2c0: 3132 3339 2e36 372c 2d37 3137 2e38 3120 1239.67,-717.81 \n-0001c2d0: 3132 3337 2e32 342c 2d37 3235 2e31 3320 1237.24,-725.13 \n-0001c2e0: 3132 3438 2e38 362c 2d37 3334 2e34 3420 1248.86,-734.44 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2d2d 3e0a 3c67 2069 acs_fft -->.<g i\n-0001c3e0: 643d 2265 6467 6531 3632 2220 636c 6173 d=\"edge162\" clas\n-0001c3f0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001c400: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001c410: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-0001c420: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001c430: 6d61 6373 5f66 6674 3c2f 7469 746c 653e macs_fft\n-0001c440: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-0001c590: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n-0001c5a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c5b0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility......modul\n-0001c7a0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-0001c7b0: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n-0001c7c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001c7d0: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming.....<\n-0001c900: 6720 6964 3d22 6564 6765 3136 3122 2063 g id=\"edge161\" c\n-0001c910: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001c930: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-0001c940: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001c950: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd......modu\n-0001cb40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001cb50: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-0001cb60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001cb70: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n-0001cb80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n-0001ccd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001cce0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-0001ccf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001cd00: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-0001cd10: 7061 7468 2066 696c 6c3d 226e 6f6e 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7970 6573 3c2f romacs_mdtypes</\n-0001d930: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001d940: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001d950: 2223 6266 6266 6266 2220 643d 224d 3134 \"#bfbfbf\" d=\"M14\n-0001d960: 3532 2e33 362c 2d35 3435 2e32 3943 3134 52.36,-545.29C14\n-0001d970: 3431 2e37 352c 2d35 3533 2e38 3620 3134 41.75,-553.86 14\n-0001d980: 3237 2e32 352c 2d35 3636 2e35 3720 3134 27.25,-566.57 14\n-0001d990: 3139 2e38 362c 2d35 3831 2e38 3320 3133 19.86,-581.83 13\n-0001d9a0: 3930 2e32 312c 2d36 3433 2e30 3320 3134 90.21,-643.03 14\n-0001d9b0: 3439 2e37 362c 2d36 3830 2e31 3120 3134 49.76,-680.11 14\n-0001d9c0: 3038 2e38 362c 2d37 3334 2e34 3420 3133 08.86,-734.44 13\n-0001d9d0: 3830 2e39 352c 2d37 3731 2e35 3120 3133 80.95,-771.51 13\n-0001d9e0: 3439 2e36 362c 2d37 3435 2031 3331 302e 49.66,-745 1310.\n-0001d9f0: 3836 2c2d 3737 302e 3434 2031 3136 382e 86,-770.44 1168.\n-0001da00: 3034 2c2d 3836 342e 3039 2031 3133 362e 04,-864.09 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7473 3d22 3139 3132 2e36 372c points=\"1912.67,\n-0001db00: 2d31 3437 382e 3337 2031 3932 322e 3637 -1478.37 1922.67\n-0001db10: 2c2d 3134 3734 2e38 3820 3139 3132 2e36 ,-1474.88 1912.6\n-0001db20: 382c 2d31 3437 312e 3337 2031 3931 322e 8,-1471.37 1912.\n-0001db30: 3637 2c2d 3134 3738 2e33 3722 2f3e 0a3c 67,-1478.37\"/>.<\n-0001db40: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001db50: 7372 635f 6772 6f6d 6163 735f 7469 6d69 src_gromacs_timi\n-0001db60: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n-0001db70: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-0001db80: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n-0001db90: 2265 6467 6531 3736 2220 636c 6173 733d \"edge176\" class=\n-0001dba0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001dbb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001dbc0: 735f 7469 6d69 6e67 2623 3435 3b26 6774 s_timing->\n-0001dbd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001dbe0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-0001dbf0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001dc00: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001dc10: 3832 6663 6322 2064 3d22 4d31 3436 352e 82fcc\" d=\"M1465.\n-0001dc20: 3733 2c2d 3531 382e 3738 4331 3436 382e 73,-518.78C1468.\n-0001dc30: 3836 2c2d 3439 362e 3434 2031 3437 342e 86,-496.44 1474.\n-0001dc40: 3836 2c2d 3434 382e 3432 2031 3437 342e 86,-448.42 1474.\n-0001dc50: 3836 2c2d 3430 372e 3636 2031 3437 342e 86,-407.66 1474.\n-0001dc60: 3836 2c2d 3430 372e 3636 2031 3437 342e 86,-407.66 1474.\n-0001dc70: 3836 2c2d 3430 372e 3636 2031 3437 342e 86,-407.66 1474.\n-0001dc80: 3836 2c2d 3334 322e 3739 2031 3437 342e 86,-342.79 1474.\n-0001dc90: 3836 2c2d 3330 352e 3838 2031 3437 392e 86,-305.88 1479.\n-0001dca0: 3537 2c2d 3238 382e 3536 2031 3530 392e 57,-288.56 1509.\n-0001dcb0: 3836 2c2d 3236 372e 3438 2031 3535 362e 86,-267.48 1556.\n-0001dcc0: 3039 2c2d 3233 352e 3331 2031 3934 382e 09,-235.31 1948.\n-0001dcd0: 3138 2c2d 3232 332e 3035 2032 3037 342e 18,-223.05 2074.\n-0001dce0: 312c 2d32 3139 2e39 3222 2f3e 0a3c 706f 1,-219.92\"/>.<po\n-0001dcf0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-0001dd00: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-0001dd10: 3266 6363 2220 706f 696e 7473 3d22 3230 2fcc\" points=\"20\n-0001dd20: 3734 2e35 2c2d 3232 332e 3431 2032 3038 74.5,-223.41 208\n-0001dd30: 342e 3432 2c2d 3231 392e 3636 2032 3037 4.42,-219.66 207\n-0001dd40: 342e 3333 2c2d 3231 362e 3431 2032 3037 4.33,-216.41 207\n-0001dd50: 342e 352c 2d32 3233 2e34 3122 2f3e 0a3c 4.5,-223.41\"/>.<\n-0001dd60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001dd70: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n-0001dd80: 7261 696e 7420 2d2d 3e0a 3c67 2069 643d raint -->.<g id=\n-0001dd90: 226e 6f64 6532 3722 2063 6c61 7373 3d22 \"node27\" class=\"\n-0001dda0: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n-0001ddb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ddc0: 5f72 6573 7472 6169 6e74 3c2f 7469 746c _restraint</titl\n-0001ddd0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n-0001dde0: 3237 223e 3c61 2078 6c69 6e6b 3a68 7265 27\"><a xlink:hre\n-0001ddf0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n-0001de00: 5f5f 7265 7374 7261 696e 742e 7868 746d __restraint.xhtm\n-0001de10: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n-0001de20: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7265 xlink:title=\"re\n-0001de30: 7374 7261 696e 7422 3e0a 3c65 6c6c 6970 straint\">.<ellip\n-0001de40: 7365 2066 696c 6c3d 226e 6f6e 6522 2073 se fill=\"none\" s\n-0001de50: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-0001de60: 3d22 3235 3634 2e38 3622 2063 793d 222d =\"2564.86\" cy=\"-\n-0001de70: 3732 312e 3031 2220 7278 3d22 3336 2e35 721.01\" rx=\"36.5\n-0001de80: 3422 2072 793d 2231 332e 3337 222f 3e0a 4\" ry=\"13.37\"/>.\n-0001de90: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n-0001dea0: 723d 226d 6964 646c 6522 2078 3d22 3235 r=\"middle\" x=\"25\n-0001deb0: 3634 2e38 3622 2079 3d22 2d37 3138 2e35 64.86\" y=\"-718.5\n-0001dec0: 3122 2066 6f6e 742d 6661 6d69 6c79 3d22 1\" font-family=\"\n-0001ded0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n-0001dee0: 697a 653d 2231 302e 3030 223e 7265 7374 ize=\"10.00\">rest\n-0001def0: 7261 696e 743c 2f74 6578 743e 0a3c 2f61 raint</text>.</a\n-0001df00: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d >.</g>.</g>.<!--\n-0001df10: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0001df20: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n-0001df30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001df40: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001df50: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001df60: 3137 3922 2063 6c61 7373 3d22 6564 6765 179\" class=\"edge\n-0001df70: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001df80: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n-0001df90: 7472 6169 6e74 2623 3435 3b26 6774 3b6d traint->m\n-0001dfa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001dfb0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n-0001dfc0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001dfd0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001dfe0: 6662 6622 2064 3d22 4d32 3539 302e 3838 fbf\" d=\"M2590.88\n-0001dff0: 2c2d 3733 302e 3743 3236 3731 2e39 392c ,-730.7C2671.99,\n-0001e000: 2d37 3539 2e36 3120 3239 3134 2e38 362c -759.61 2914.86,\n-0001e010: 2d38 3630 2e36 3820 3239 3134 2e38 362c -860.68 2914.86,\n-0001e020: 2d31 3033 342e 3336 2032 3931 342e 3836 -1034.36 2914.86\n-0001e030: 2c2d 3130 3939 2e32 3320 3239 3134 2e38 ,-1099.23 2914.8\n-0001e040: 362c 2d31 3039 392e 3233 2032 3931 342e 6,-1099.23 2914.\n-0001e050: 3836 2c2d 3130 3939 2e32 3320 3239 3134 86,-1099.23 2914\n-0001e060: 2e38 362c 2d31 3135 382e 3134 2032 3835 .86,-1158.14 285\n-0001e070: 392e 3534 2c2d 3131 3534 2e30 3320 3238 9.54,-1154.03 28\n-0001e080: 3432 2e38 362c 2d31 3231 302e 3533 2032 42.86,-1210.53 2\n-0001e090: 3833 392e 3438 2c2d 3132 3231 2e39 3820 839.48,-1221.98 \n-0001e0a0: 3238 3337 2e31 2c2d 3132 3236 2e39 3420 2837.1,-1226.94 \n-0001e0b0: 3238 3432 2e38 362c 2d31 3233 372e 3420 2842.86,-1237.4 \n-0001e0c0: 3238 3537 2e33 322c 2d31 3236 332e 3634 2857.32,-1263.64\n-0001e0d0: 2032 3838 352e 342c 2d31 3234 372e 3136 2885.4,-1247.16\n-0001e0e0: 2032 3839 392e 3836 2c2d 3132 3733 2e34 2899.86,-1273.4\n-0001e0f0: 2032 3930 352e 3632 2c2d 3132 3833 2e38 2905.62,-1283.8\n-0001e100: 3620 3239 3036 2e33 392c 2d31 3239 302e 6 2906.39,-1290.\n-0001e110: 3237 2032 3839 392e 3836 2c2d 3133 3030 27 2899.86,-1300\n-0001e120: 2e32 3720 3238 3039 2e37 342c 2d31 3433 .27 2809.74,-143\n-0001e130: 382e 3333 2032 3731 322e 3739 2c2d 3133 8.33 2712.79,-13\n-0001e140: 3935 2e30 3320 3235 3530 2e38 362c 2d31 95.03 2550.86,-1\n-0001e150: 3432 362e 3031 2032 3335 322e 3436 2c2d 426.01 2352.46,-\n-0001e160: 3134 3633 2e39 3720 3231 3130 2e39 332c 1463.97 2110.93,\n-0001e170: 2d31 3437 322e 3139 2032 3030 392e 3435 -1472.19 2009.45\n-0001e180: 2c2d 3134 3733 2e39 3722 2f3e 0a3c 706f ,-1473.97\"/>.<po\n-0001e190: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-0001e1a0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-0001e1b0: 6266 6266 2220 706f 696e 7473 3d22 3230 bfbf\" points=\"20\n-0001e1c0: 3039 2e31 352c 2d31 3437 302e 3437 2031 09.15,-1470.47 1\n-0001e1d0: 3939 392e 3231 2c2d 3134 3734 2e31 3320 999.21,-1474.13 \n-0001e1e0: 3230 3039 2e32 362c 2d31 3437 372e 3437 2009.26,-1477.47\n-0001e1f0: 2032 3030 392e 3135 2c2d 3134 3730 2e34 2009.15,-1470.4\n-0001e200: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n-0001e210: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e220: 735f 7265 7374 7261 696e 7426 2334 353b s_restraint-\n-0001e230: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e240: 726f 6d61 6373 5f64 6f6d 6465 6320 2d2d romacs_domdec --\n-0001e250: 3e0a 3c67 2069 643d 2265 6467 6531 3737 >.<g id=\"edge177\n-0001e260: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001e270: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001e280: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n-0001e290: 696e 7426 2334 353b 2667 743b 6d6f 6475 int->modu\n-0001e2a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-0001e2b0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec...\n-0001e410: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n-0001e490: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n-0001e4a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001e4b0: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n-0001e4c0: 696c 3c2f 7469 746c 653e 0a3c 7061 7468 il......modul\n-0001e620: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n-0001e630: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n-0001e640: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e650: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-0001e660: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001e670: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001e680: 6662 6622 2064 3d22 4d32 3538 322e 3031 fbf\" d=\"M2582.01\n-0001e690: 2c2d 3733 332e 3133 4332 3539 352e 3036 ,-733.13C2595.06\n-0001e6a0: 2c2d 3734 322e 3134 2032 3631 322e 3931 ,-742.14 2612.91\n-0001e6b0: 2c2d 3735 352e 3732 2032 3632 352e 3836 ,-755.72 2625.86\n-0001e6c0: 2c2d 3737 302e 3434 2032 3634 372e 3433 ,-770.44 2647.43\n-0001e6d0: 2c2d 3739 342e 3935 2032 3635 352e 3039 ,-794.95 2655.09\n-0001e6e0: 2c2d 3830 312e 3836 2032 3636 332e 3836 ,-801.86 2663.86\n-0001e6f0: 2c2d 3833 332e 3331 2032 3637 342e 3836 ,-833.31 2674.86\n-0001e700: 2c2d 3837 322e 3737 2032 3636 302e 3839 ,-872.77 2660.89\n-0001e710: 2c2d 3838 362e 3237 2032 3634 322e 3836 ,-886.27 2642.86\n-0001e720: 2c2d 3932 332e 3035 2032 3632 382e 3037 ,-923.05 2628.07\n-0001e730: 2c2d 3935 332e 3233 2032 3632 302e 3839 ,-953.23 2620.89\n-0001e740: 2c2d 3935 382e 3934 2032 3630 302e 3836 ,-958.94 2600.86\n-0001e750: 2c2d 3938 352e 3932 2032 3534 352e 3339 ,-985.92 2545.39\n-0001e760: 2c2d 3130 3630 2e36 3520 3235 3235 2e30 ,-1060.65 2525.0\n-0001e770: 312c 2d31 3037 342e 3231 2032 3436 372e 1,-1074.21 2467.\n-0001e780: 3836 2c2d 3131 3437 2e36 3620 3234 3337 86,-1147.66 2437\n-0001e790: 2e34 362c 2d31 3138 362e 3734 2032 3433 .46,-1186.74 243\n-0001e7a0: 312e 3536 2c2d 3131 3937 2e37 3920 3234 1.56,-1197.79 24\n-0001e7b0: 3031 2e38 362c 2d31 3233 372e 3420 3233 01.86,-1237.4 23\n-0001e7c0: 3934 2e38 322c 2d31 3234 362e 3820 3233 94.82,-1246.8 23\n-0001e7d0: 3836 2e39 322c 2d31 3235 372e 3135 2032 86.92,-1257.15 2\n-0001e7e0: 3338 302e 3234 2c2d 3132 3635 2e38 3722 380.24,-1265.87\"\n-0001e7f0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0001e800: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-0001e810: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n-0001e820: 7473 3d22 3233 3737 2e33 362c 2d31 3236 ts=\"2377.36,-126\n-0001e830: 332e 3838 2032 3337 342e 3034 2c2d 3132 3.88 2374.04,-12\n-0001e840: 3733 2e39 3420 3233 3832 2e39 312c 2d31 73.94 2382.91,-1\n-0001e850: 3236 382e 3134 2032 3337 372e 3336 2c2d 268.14 2377.36,-\n-0001e860: 3132 3633 2e38 3822 2f3e 0a3c 2f67 3e0a 1263.88\"/>.</g>.\n-0001e870: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001e880: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n-0001e890: 696f 6e66 756e 6374 696f 6e73 202d 2d3e ionfunctions -->\n-0001e8a0: 0a3c 6720 6964 3d22 6e6f 6465 3238 2220 .<g id=\"node28\" \n-0001e8b0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n-0001e8c0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0001e8d0: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n-0001e8e0: 696f 6e66 756e 6374 696f 6e73 3c2f 7469 ionfunctions</ti\n-0001e8f0: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n-0001e900: 6465 3238 223e 3c61 2078 6c69 6e6b 3a68 de28\"><a xlink:h\n-0001e910: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-0001e920: 6c65 5f5f 636f 7272 656c 6174 696f 6e66 le__correlationf\n-0001e930: 756e 6374 696f 6e73 2e78 6874 6d6c 2220 unctions.xhtml\" \n-0001e940: 7461 7267 6574 3d22 5f74 6f70 2220 786c target=\"_top\" xl\n-0001e950: 696e 6b3a 7469 746c 653d 2263 6f72 7265 ink:title=\"corre\n-0001e960: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7322 lationfunctions\"\n-0001e970: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-0001e980: 2223 6666 6363 6363 2220 7374 726f 6b65 \"#ffcccc\" stroke\n-0001e990: 3d22 626c 6163 6b22 2063 783d 2232 3738 =\"black\" cx=\"278\n-0001e9a0: 342e 3836 2220 6379 3d22 2d31 3238 362e 4.86\" cy=\"-1286.\n-0001e9b0: 3834 2220 7278 3d22 3731 2e33 3422 2072 84\" rx=\"71.34\" r\n-0001e9c0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-0001e9d0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-0001e9e0: 6964 646c 6522 2078 3d22 3237 3834 2e38 iddle\" x=\"2784.8\n-0001e9f0: 3622 2079 3d22 2d31 3238 342e 3334 2220 6\" y=\"-1284.34\" \n-0001ea00: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n-0001ea10: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n-0001ea20: 3d22 3130 2e30 3022 3e63 6f72 7265 6c61 =\"10.00\">correla\n-0001ea30: 7469 6f6e 6675 6e63 7469 6f6e 733c 2f74 tionfunctions</t\n-0001ea40: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n-0001ea50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001ea60: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n-0001ea70: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n-0001ea80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001ea90: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0001eaa0: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564 io -->.<g id=\"ed\n-0001eab0: 6765 3138 3222 2063 6c61 7373 3d22 6564 ge182\" class=\"ed\n-0001eac0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0001ead0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001eae0: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-0001eaf0: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-0001eb00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0001eb10: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......mod\n-0001ec80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ec90: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-0001eca0: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n-0001ecb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ecc0: 6666 743c 2f74 6974 6c65 3e0a 3c70 6174 fft....\n-0001ee40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-0001eec0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001eed0: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-0001eee0: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n-0001eef0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ef00: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n-0001ef10: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001ef20: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001ef30: 3832 6663 6322 2064 3d22 4d32 3830 372e 82fcc\" d=\"M2807.\n-0001ef40: 382c 2d31 3237 342e 3143 3238 3236 2e32 8,-1274.1C2826.2\n-0001ef50: 332c 2d31 3236 342e 3638 2032 3835 322e 3,-1264.68 2852.\n-0001ef60: 3239 2c2d 3132 3531 2e33 3520 3238 3732 29,-1251.35 2872\n-0001ef70: 2e36 322c 2d31 3234 302e 3935 222f 3e0a .62,-1240.95\"/>.\n-0001ef80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0001ef90: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-0001efa0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-0001efb0: 2232 3837 342e 3438 2c2d 3132 3433 2e39 \"2874.48,-1243.9\n-0001efc0: 3220 3238 3831 2e37 392c 2d31 3233 362e 2 2881.79,-1236.\n-0001efd0: 3235 2032 3837 312e 3239 2c2d 3132 3337 25 2871.29,-1237\n-0001efe0: 2e36 3920 3238 3734 2e34 382c 2d31 3234 .69 2874.48,-124\n-0001eff0: 332e 3932 222f 3e0a 3c2f 673e 0a3c 212d 3.92\"/>.</g>.<!-\n-0001f000: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001f010: 6d61 6373 5f63 6f72 7265 6c61 7469 6f6e macs_correlation\n-0001f020: 6675 6e63 7469 6f6e 7326 2334 353b 2667 functions-&g\n-0001f030: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f040: 6d61 6373 5f75 7469 6c69 7479 202d 2d3e macs_utility -->\n-0001f050: 0a3c 6720 6964 3d22 6564 6765 3138 3122 .<g id=\"edge181\"\n-0001f060: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001f070: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001f080: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n-0001f090: 7469 6f6e 6675 6e63 7469 6f6e 7326 2334 tionfunctions\n-0001f0a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001f0b0: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n-0001f0c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-0001f240: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001f250: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001f260: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001f270: 3231 3531 2e33 2c2d 3231 352e 3635 2032 2151.3,-215.65 2\n-0001f280: 3134 312e 3238 2c2d 3231 392e 3132 2032 141.28,-219.12 2\n-0001f290: 3135 312e 3237 2c2d 3232 322e 3635 2032 151.27,-222.65 2\n-0001f2a0: 3135 312e 332c 2d32 3135 2e36 3522 2f3e 151.3,-215.65\"/>\n-0001f2b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-0001f2e0: 6720 6964 3d22 6e6f 6465 3239 2220 636c g id=\"node29\" cl\n-0001f2f0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0001f310: 6f6d 6163 735f 616e 616c 7973 6973 6461 omacs_analysisda\n-0001f320: 7461 3c2f 7469 746c 653e 0a3c 6720 6964 ta...a\n-0001f450: 6e61 6c79 7369 7364 6174 613c 2f74 6578 nalysisdata......module_src_gro\n-0001f4f0: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n-0001f500: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-0001f510: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001f520: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......module\n-0001f6c0: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61 _src_gromacs_ana\n-0001f6d0: 6c79 7369 7364 6174 6126 2334 353b 2667 lysisdata-&g\n-0001f6e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f6f0: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options</ti\n-0001f700: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001f710: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n-0001f720: 6c61 636b 2220 643d 224d 3339 3034 2e34 lack\" d=\"M3904.4\n-0001f730: 312c 2d31 3231 302e 3534 4333 3932 312e 1,-1210.54C3921.\n-0001f740: 3338 2c2d 3131 3839 2e32 3420 3339 3532 38,-1189.24 3952\n-0001f750: 2e38 362c 2d31 3134 332e 3733 2033 3935 .86,-1143.73 395\n-0001f760: 322e 3836 2c2d 3130 3939 2e32 3320 3339 2.86,-1099.23 39\n-0001f770: 3532 2e38 362c 2d31 3039 392e 3233 2033 52.86,-1099.23 3\n-0001f780: 3935 322e 3836 2c2d 3130 3939 2e32 3320 952.86,-1099.23 \n-0001f790: 3339 3532 2e38 362c 2d38 3435 2e37 3520 3952.86,-845.75 \n-0001f7a0: 3339 3532 2e38 362c 2d37 3936 2e32 3320 3952.86,-796.23 \n-0001f7b0: 3339 3536 2e33 392c 2d37 3833 2e39 3420 3956.39,-783.94 \n-0001f7c0: 3339 3537 2e38 362c 2d37 3334 2e34 3420 3957.86,-734.44 \n-0001f7d0: 3339 3539 2e30 372c 2d36 3933 2e37 3620 3959.07,-693.76 \n-0001f7e0: 3339 3539 2e35 352c 2d36 3436 2e33 3320 3959.55,-646.33 \n-0001f7f0: 3339 3539 2e37 342c 2d36 3138 2e39 3522 3959.74,-618.95\"\n-0001f800: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0001f810: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-0001f820: 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3b26 6774 ysisdata->\n-0001f910: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001f920: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n-0001f930: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001f940: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0001f950: 6422 2064 3d22 4d33 3930 392e 3133 2c2d d\" d=\"M3909.13,-\n-0001f960: 3132 3130 2e39 3643 3339 3139 2e35 352c 1210.96C3919.55,\n-0001f970: 2d31 3230 312e 3939 2033 3933 322e 3836 -1201.99 3932.86\n-0001f980: 2c2d 3131 3838 2e38 3520 3339 3430 2e38 ,-1188.85 3940.8\n-0001f990: 362c 2d31 3137 342e 3533 2033 3935 342e 6,-1174.53 3954.\n-0001f9a0: 3933 2c2d 3131 3439 2e33 3620 3339 3531 93,-1149.36 3951\n-0001f9b0: 2e35 322c 2d31 3133 392e 3939 2033 3935 .52,-1139.99 395\n-0001f9c0: 362e 3836 2c2d 3131 3131 2e36 3620 3430 6.86,-1111.66 40\n-0001f9d0: 3130 2e39 322c 2d38 3234 2e38 3820 3430 10.92,-824.88 40\n-0001f9e0: 3337 2e34 342c 2d37 3434 2e36 3520 3339 37.44,-744.65 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tion.\n-0001fc70: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....mo\n-0001fcf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001fd00: 5f61 6e61 6c79 7369 7364 6174 6126 2334 _analysisdata\n-0001fd10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001fd20: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n-0001fd30: 6f6e 3c2f 7469 746c 653e 0a3c 7061 7468 on.\n-0001fe20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0001fe90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0001ff00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ff10: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-0001ff20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001ff30: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n-0001ff40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001ff50: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-0001ff60: 6422 2064 3d22 4d31 3838 312e 3637 2c2d d\" d=\"M1881.67,-\n-0001ff70: 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382e 9,-1447.42 1938.\n-00020060: 3831 2c2d 3134 3535 2e39 3922 2f3e 0a3c 81,-1455.99\"/>.<\n-00020070: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00020080: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00020090: 706f 696e 7473 3d22 3139 3336 2e35 372c points=\"1936.57,\n-000200a0: 2d31 3435 382e 3638 2031 3934 362e 342c -1458.68 1946.4,\n-000200b0: 2d31 3436 322e 3635 2031 3934 312e 3139 -1462.65 1941.19\n-000200c0: 2c2d 3134 3533 2e34 3220 3139 3336 2e35 ,-1453.42 1936.5\n-000200d0: 372c 2d31 3435 382e 3638 222f 3e0a 3c2f 7,-1458.68\"/>.</\n-000200e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-000200f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00020100: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00020110: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n-00020120: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00020130: 3231 3222 2063 6c61 7373 3d22 6564 6765 212\" class=\"edge\n-00020140: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00020150: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00020160: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00020170: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n-00020180: 7468 3c2f 7469 746c 653e 0a3c 7061 7468 th......module_src_gro\n-00020380: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00020390: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000203a0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-000203b0: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n-000203c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00020440: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-00020530: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00020540: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-00020550: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00020560: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n-00020570: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00020580: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00020590: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-000205a0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000205b0: 4d31 3836 352e 3933 2c2d 3738 392e 3039 M1865.93,-789.09\n-000205c0: 4331 3832 322e 3539 2c2d 3739 352e 3834 C1822.59,-795.84\n-000205d0: 2031 3733 382e 3535 2c2d 3831 302e 3639 1738.55,-810.69\n-000205e0: 2031 3636 392e 3836 2c2d 3833 332e 3331 1669.86,-833.31\n-000205f0: 2031 3530 372e 3938 2c2d 3838 362e 3633 1507.98,-886.63\n-00020600: 2031 3332 352e 3931 2c2d 3938 302e 3220 1325.91,-980.2 \n-00020610: 3132 3535 2e32 2c2d 3130 3137 2e39 3122 1255.2,-1017.91\"\n-00020620: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00020630: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00020640: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-00020650: 7473 3d22 3132 3533 2e31 332c 2d31 3031 ts=\"1253.13,-101\n-00020660: 352e 3034 2031 3234 352e 3937 2c2d 3130 5.04 1245.97,-10\n-00020670: 3232 2e38 3520 3132 3536 2e34 342c 2d31 22.85 1256.44,-1\n-00020680: 3032 312e 3232 2031 3235 332e 3133 2c2d 021.22 1253.13,-\n-00020690: 3130 3135 2e30 3422 2f3e 0a3c 2f67 3e0a 1015.04\"/>.</g>.\n-000206a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000206b0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-000206c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000206d0: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n-000206e0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n-000206f0: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n-00020700: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00020710: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00020720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00020730: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00020740: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.....\n-00020900: 3c67 2069 643d 2265 6467 6532 3039 2220 .module_src_\n-00020930: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00020940: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00020950: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n-00020960: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gr\n-00020b50: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00020b60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00020b70: 726f 6d61 6373 5f6d 696d 6963 3c2f 7469 romacs_mimic......mod\n-00020f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00020f70: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00020f80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00020f90: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n-00020fa0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00020fb0: 6e65 2220 7374 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e_src_gromacs_md\n-00021180: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00021190: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-000211a0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......module_src_grom\n-00021400: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00021410: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00021420: 6d61 6373 5f73 7761 703c 2f74 6974 6c65 macs_swap.....<\n-00021570: 6720 6964 3d22 6564 6765 3231 3522 2063 g id=\"edge215\" c\n-00021580: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000215a0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000215b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000215c0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm...\n-00021750: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-000217c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000217d0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-000217e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000217f0: 6373 5f70 756c 6c69 6e67 3c2f 7469 746c cs_pulling</titl\n-00021800: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00021810: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00021820: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00021830: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00021840: 4d31 3931 362e 3733 2c2d 3737 342e 3039 M1916.73,-774.09\n-00021850: 4331 3935 382e 3135 2c2d 3735 372e 3838 C1958.15,-757.88\n-00021860: 2032 3035 312e 3138 2c2d 3732 332e 3438 2051.18,-723.48\n-00021870: 2032 3133 322e 3836 2c2d 3730 372e 3537 2132.86,-707.57\n-00021880: 2032 3334 362e 392c 2d36 3635 2e38 3920 2346.9,-665.89 \n-00021890: 3236 3039 2e32 362c 2d36 3539 2e38 3520 2609.26,-659.85 \n-000218a0: 3237 3039 2e33 372c 2d36 3539 2e31 3422 2709.37,-659.14\"\n-000218b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-000218c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b 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3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000219c0: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-000219d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modul\n-00021ba0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00021bb0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00021bc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00021bd0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec...\n-00021cc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-00021d30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021d40: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00021d50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021d60: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline</\n-00021d70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00021d80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00021d90: 2223 3238 3266 6363 2220 643d 224d 3139 \"#282fcc\" d=\"M19\n-00021da0: 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1950.6,-221.76 \n-000222f0: 3230 3734 2e32 332c 2d32 3139 2e36 3122 2074.23,-219.61\"\n-00022300: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00022310: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n-00022320: 6564 2220 706f 696e 7473 3d22 3230 3734 ed\" points=\"2074\n-00022330: 2e34 332c 2d32 3233 2e31 2032 3038 342e .43,-223.1 2084.\n-00022340: 3337 2c2d 3231 392e 3434 2032 3037 342e 37,-219.44 2074.\n-00022350: 3331 2c2d 3231 362e 3131 2032 3037 342e 31,-216.11 2074.\n-00022360: 3433 2c2d 3232 332e 3122 2f3e 0a3c 2f67 43,-223.1\"/>.</g\n-00022370: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00022380: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00022390: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000223a0: 7263 5f67 726f 6d61 6373 5f74 696d 696e rc_gromacs_timin\n-000223b0: 6720 2d2d 3e0a 3c67 2069 643d 2265 6467 g -->.<g id=\"edg\n-000223c0: 6532 3038 2220 636c 6173 733d 2265 6467 e208\" class=\"edg\n-000223d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000223e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000223f0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-00022400: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00022410: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming......module\n-000225a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000225b0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-000225c0: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n-000225d0: 7374 7261 696e 743c 2f74 6974 6c65 3e0a straint.\n-000225e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-00022750: 3c67 2069 643d 2265 6467 6532 3133 2220 .module_src_\n-00022780: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00022790: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000227a0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-000227b0: 7369 6d75 6c61 746f 723c 2f74 6974 6c65 simulator....<\n-000228d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000228e0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-000228f0: 6e6d 656e 7420 2d2d 3e0a 3c67 2069 643d nment -->..mo\n-00022920: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022930: 5f74 6173 6b61 7373 6967 6e6d 656e 743c _taskassignment<\n-00022940: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n-00022950: 5f6e 6f64 6533 3222 3e3c 6120 786c 696e _node32\"><a xlin\n-00022960: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n-00022970: 6f64 756c 655f 5f74 6173 6b61 7373 6967 odule__taskassig\n-00022980: 6e6d 656e 742e 7868 746d 6c22 2074 6172 nment.xhtml\" tar\n-00022990: 6765 743d 225f 746f 7022 2078 6c69 6e6b get=\"_top\" xlink\n-000229a0: 3a74 6974 6c65 3d22 7461 736b 6173 7369 :title=\"taskassi\n-000229b0: 676e 6d65 6e74 223e 0a3c 656c 6c69 7073 gnment\">.<ellips\n-000229c0: 6520 6669 6c6c 3d22 2365 3563 6366 6622 e fill=\"#e5ccff\"\n-000229d0: 2073 7472 6f6b 653d 2262 6c61 636b 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45;>module_sr\n-00022ac0: 635f 6772 6f6d 6163 735f 7461 736b 6173 c_gromacs_taskas\n-00022ad0: 7369 676e 6d65 6e74 202d 2d3e 0a3c 6720 signment -->.<g \n-00022ae0: 6964 3d22 6564 6765 3232 3022 2063 6c61 id=\"edge220\" cla\n-00022af0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00022b00: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00022b10: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00022b20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00022b30: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-00022b40: 6d65 6e74 3c2f 7469 746c 653e 0a3c 7061 ment..\n-00022bb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....modu\n-00022c90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00022ca0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-00022cb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022cc0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n-00022cd0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00022ce0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00022cf0: 3238 3266 6363 2220 643d 224d 3139 3235 282fcc\" d=\"M1925\n-00022d00: 2e33 372c 2d37 3837 2e32 3643 3230 3334 .37,-787.26C2034\n-00022d10: 2e35 392c 2d37 3936 2e32 3620 3234 3036 .59,-796.26 2406\n-00022d20: 2e33 2c2d 3832 382e 3238 2032 3534 362e .3,-828.28 2546.\n-00022d30: 3637 2c2d 3834 302e 3734 222f 3e0a 3c70 67,-840.74\"/>.<p\n-00022d40: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-00022d50: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-00022d60: 3832 6663 6322 2070 6f69 6e74 733d 2232 82fcc\" points=\"2\n-00022d70: 3534 362e 352c 2d38 3434 2e32 3320 3235 546.5,-844.23 25\n-00022d80: 3536 2e37 372c 2d38 3431 2e36 3320 3235 56.77,-841.63 25\n-00022d90: 3437 2e31 322c 2d38 3337 2e32 3620 3235 47.12,-837.26 25\n-00022da0: 3436 2e35 2c2d 3834 342e 3233 222f 3e0a 46.5,-844.23\"/>.\n-00022db0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00022dc0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-00022dd0: 6c69 6564 5f66 6f72 6365 7320 2d2d 3e0a lied_forces -->.\n-00022de0: 3c67 2069 643d 226e 6f64 6533 3722 2063 <g id=\"node37\" c\n-00022df0: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n-00022e00: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00022e10: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00022e20: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c65 orces..applied_force\n-00022ef0: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 s....m\n-00022f70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022f80: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00022f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022fa0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00022fb0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n-00023020: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n-00023090: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 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omacs_mdrun-\n-00023610: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00023620: 726f 6d61 6373 5f70 6263 7574 696c 202d romacs_pbcutil -\n-00023630: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n-00023640: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-00023650: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00023660: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00023670: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023680: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-00023690: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til.\n-00023790: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n-00023870: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00023880: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00023890: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000238a0: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat</titl\n-000238b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000238c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000238d0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-000238e0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000238f0: 4d31 3836 332e 382c 2d37 3831 2e39 4331 M1863.8,-781.9C1\n-00023900: 3735 322e 3038 2c2d 3737 382e 3138 2031 752.08,-778.18 1\n-00023910: 3337 342e 3836 2c2d 3736 332e 3534 2031 374.86,-763.54 1\n-00023920: 3332 392e 3836 2c2d 3733 342e 3434 2031 329.86,-734.44 1\n-00023930: 3239 312e 3532 2c2d 3730 392e 3635 2031 291.52,-709.65 1\n-00023940: 3330 372e 3736 2c2d 3638 302e 3834 2031 307.76,-680.84 1\n-00023950: 3237 392e 3836 2c2d 3634 342e 3720 3131 279.86,-644.7 11\n-00023960: 3435 2e33 352c 2d34 3730 2e34 3920 3130 45.35,-470.49 10\n-00023970: 3330 2e32 322c 2d34 3930 2e32 3420 3932 30.22,-490.24 92\n-00023980: 392e 3836 2c2d 3239 342e 3335 2039 3139 9.86,-294.35 919\n-00023990: 2e34 352c 2d32 3734 2e30 3320 3930 332e .45,-274.03 903.\n-000239a0: 3937 2c2d 3231 322e 3035 2038 3936 2e30 97,-212.05 896.0\n-000239b0: 312c 2d31 3738 2e34 3322 2f3e 0a3c 706f 1,-178.43\"/>.<po\n-000239c0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-000239d0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-000239e0: 3266 6363 2220 706f 696e 7473 3d22 3839 2fcc\" points=\"89\n-000239f0: 392e 3339 2c2d 3137 372e 3533 2038 3933 9.39,-177.53 893\n-00023a00: 2e37 2c2d 3136 382e 3539 2038 3932 2e35 .7,-168.59 892.5\n-00023a10: 382c 2d31 3739 2e31 3320 3839 392e 3339 8,-179.13 899.39\n-00023a20: 2c2d 3137 372e 3533 222f 3e0a 3c2f 673e ,-177.53\"/>.</g>\n-00023a30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00023a40: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00023a50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00023a60: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00023a70: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00023a80: 3230 3022 2063 6c61 7373 3d22 6564 6765 200\" class=\"edge\n-00023a90: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00023aa0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00023ab0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00023ac0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00023ad0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib....\n-00023c70: 0a3c 6720 6964 3d22 6564 6765 3230 3122 ..<\n-00023c90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00023ca0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00023cb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00023cc0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-00023cd0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......mod\n-00023f00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023f10: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00023f20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023f30: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n-00023f40: 6177 683c 2f74 6974 6c65 3e0a 3c70 6174 awh......module_src_gr\n-00024130: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00024140: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00024150: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024160: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes...\n-00024280: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n-00024300: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00024310: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00024320: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024330: 735f 6d61 7468 3c2f 7469 746c 653e 0a3c s_math.<\n-00024340: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00024350: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00024360: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00024370: 3d22 352c 3222 2064 3d22 4d31 3935 322e =\"5,2\" d=\"M1952.\n-00024380: 3737 2c2d 3130 3834 2e37 3843 3139 3333 77,-1084.78C1933\n-00024390: 2e34 372c 2d31 3034 342e 3437 2031 3837 .47,-1044.47 187\n-000243a0: 332e 3734 2c2d 3931 332e 3435 2031 3835 3.74,-913.45 185\n-000243b0: 342e 3836 2c2d 3739 372e 3331 2031 3835 4.86,-797.31 185\n-000243c0: 322e 3934 2c2d 3738 352e 3532 2031 3835 2.94,-785.52 185\n-000243d0: 332e 3338 2c2d 3738 322e 3239 2031 3835 3.38,-782.29 185\n-000243e0: 342e 3836 2c2d 3737 302e 3434 2031 3835 4.86,-770.44 185\n-000243f0: 382e 3434 2c2d 3734 312e 3833 2031 3835 8.44,-741.83 185\n-00024400: 372e 3937 2c2d 3733 332e 3336 2031 3837 7.97,-733.36 187\n-00024410: 302e 3836 2c2d 3730 372e 3537 2031 3838 0.86,-707.57 188\n-00024420: 302e 3035 2c2d 3638 392e 3139 2031 3839 0.05,-689.19 189\n-00024430: 312e 3136 2c2d 3639 302e 3138 2031 3839 1.16,-690.18 189\n-00024440: 392e 3836 2c2d 3637 312e 3537 2031 3931 9.86,-671.57 191\n-00024450: 342e 3331 2c2d 3634 302e 3636 2031 3931 4.31,-640.66 191\n-00024460: 342e 3836 2c2d 3633 302e 3339 2031 3931 4.86,-630.39 191\n-00024470: 342e 3836 2c2d 3539 362e 3237 2031 3931 4.86,-596.27 191\n-00024480: 342e 3836 2c2d 3539 362e 3237 2031 3931 4.86,-596.27 191\n-00024490: 342e 3836 2c2d 3539 362e 3237 2031 3931 4.86,-596.27 191\n-000244a0: 342e 3836 2c2d 3436 382e 3533 2031 3931 4.86,-468.53 191\n-000244b0: 342e 3836 2c2d 3433 342e 3420 3139 3131 4.86,-434.4 1911\n-000244c0: 2e31 332c 2d34 3235 2e34 3320 3138 3939 .13,-425.43 1899\n-000244d0: 2e38 362c 2d33 3933 2e32 3220 3138 3936 .86,-393.22 1896\n-000244e0: 2e36 332c 2d33 3833 2e39 3820 3138 3931 .63,-383.98 1891\n-000244f0: 2e39 322c 2d33 3734 2e32 3920 3138 3837 .92,-374.29 1887\n-00024500: 2e34 362c 2d33 3636 2e30 3322 2f3e 0a3c .46,-366.03\"/>.<\n-00024510: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-00024520: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-00024530: 636b 2220 706f 696e 7473 3d22 3138 3930 ck\" points=\"1890\n-00024540: 2e33 392c 2d33 3634 2e31 2031 3838 322e .39,-364.1 1882.\n-00024550: 3434 2c2d 3335 372e 3120 3138 3834 2e32 44,-357.1 1884.2\n-00024560: 392c 2d33 3637 2e35 3320 3138 3930 2e33 9,-367.53 1890.3\n-00024570: 392c 2d33 3634 2e31 222f 3e0a 3c2f 673e 9,-364.1\"/>.\n-00024580: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-00024600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00024610: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-00024620: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024630: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-00024640: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n-00024650: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-00024750: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00024760: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00024770: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00024780: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024790: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->..module_src_gro\n-000247d0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-000247e0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-000247f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024800: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-00024810: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00024820: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00024830: 224d 3139 3439 2e33 2c2d 3131 3131 2e37 \"M1949.3,-1111.7\n-00024840: 3843 3139 3132 2e36 382c 2d31 3135 392e 8C1912.68,-1159.\n-00024850: 3834 2031 3738 312e 3138 2c2d 3133 3332 84 1781.18,-1332\n-00024860: 2e34 3120 3137 3336 2e31 332c 2d31 3339 .41 1736.13,-139\n-00024870: 312e 3534 222f 3e0a 3c70 6f6c 7967 6f6e 1.54\"/>.....module_src_gro\n-00024970: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00024980: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-00024990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000249a0: 5f74 6f70 6f6c 6f67 793c 2f74 6974 6c65 _topology..\n-00024b20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00024ba0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-00024bb0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-00024bc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024bd0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n-00024be0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00024bf0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00024c00: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n-00024c10: 3031 372e 3337 2c2d 3131 3034 2e31 3943 017.37,-1104.19C\n-00024c20: 3231 3532 2e33 362c 2d31 3131 362e 3039 2152.36,-1116.09\n-00024c30: 2032 3438 322e 3037 2c2d 3131 3436 2e30 2482.07,-1146.0\n-00024c40: 3620 3235 3932 2e33 342c 2d31 3135 362e 6 2592.34,-1156.\n-00024c50: 3437 222f 3e0a 3c70 6f6c 7967 6f6e 2066 47\"/>.<polygon f\n-00024c60: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-00024c70: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-00024c80: 6f69 6e74 733d 2232 3539 322e 3333 2c2d oints=\"2592.33,-\n-00024c90: 3131 3539 2e39 3820 3236 3032 2e36 312c 1159.98 2602.61,\n-00024ca0: 2d31 3135 372e 3434 2032 3539 322e 3939 -1157.44 2592.99\n-00024cb0: 2c2d 3131 3533 2e30 3120 3235 3932 2e33 ,-1153.01 2592.3\n-00024cc0: 332c 2d31 3135 392e 3938 222f 3e0a 3c2f 3,-1159.98\"/>.</\n-00024cd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00024ce0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-00024cf0: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n-00024d00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00024d10: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e romacs_nbnxm -->\n-00024d20: 0a3c 6720 6964 3d22 6564 6765 3233 3022 .<g id=\"edge230\"\n-00024d30: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00024d40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00024d50: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00024d60: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-00024d70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00024d80: 6d61 6373 5f6e 626e 786d 3c2f 7469 746c macs_nbnxm</titl\n-00024d90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00024da0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00024db0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00024dc0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00024dd0: 4d31 3931 362e 3932 2c2d 3130 3837 2e38 M1916.92,-1087.8\n-00024de0: 3143 3138 3830 2e34 372c 2d31 3037 392e 1C1880.47,-1079.\n-00024df0: 3136 2031 3832 362e 3532 2c2d 3130 3635 16 1826.52,-1065\n-00024e00: 2e32 3120 3137 3830 2e38 362c 2d31 3034 .21 1780.86,-104\n-00024e10: 382e 3739 2031 3533 352e 3134 2c2d 3936 8.79 1535.14,-96\n-00024e20: 302e 3432 2031 3437 342e 3735 2c2d 3933 0.42 1474.75,-93\n-00024e30: 302e 3033 2031 3234 392e 3836 2c2d 3739 0.03 1249.86,-79\n-00024e40: 372e 3331 2031 3134 372e 3236 2c2d 3733 7.31 1147.26,-73\n-00024e50: 362e 3736 2031 3033 342e 3032 2c2d 3635 6.76 1034.02,-65\n-00024e60: 302e 3533 2039 3837 2e31 2c2d 3631 332e 0.53 987.1,-613.\n-00024e70: 3836 222f 3e0a 3c70 6f6c 7967 6f6e 2066 86\"/>.<polygon f\n-00024e80: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00024e90: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00024ea0: 6f69 6e74 733d 2239 3839 2e31 362c 2d36 oints=\"989.16,-6\n-00024eb0: 3131 2e30 3220 3937 392e 3133 2c2d 3630 11.02 979.13,-60\n-00024ec0: 372e 3620 3938 342e 3834 2c2d 3631 362e 7.6 984.84,-616.\n-00024ed0: 3533 2039 3839 2e31 362c 2d36 3131 2e30 53 989.16,-611.0\n-00024ee0: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-00024ef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024f00: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00024f10: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00024f20: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00024f30: 6c6c 696e 6720 2d2d 3e0a 3c67 2069 643d lling -->.<g id=\n-00024f40: 2265 6467 6532 3339 2220 636c 6173 733d \"edge239\" class=\n-00024f50: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00024f60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024f70: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00024f80: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00024f90: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00024fa0: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c70 lling......mo\n-00025150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00025160: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-00025170: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-00025180: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-00025190: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec......module_src_gr\n-00025360: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00025370: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00025380: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00025390: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline...<\n-00025500: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n-00025780: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00025790: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-000257a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000257b0: 5f75 7469 6c69 7479 3c2f 7469 746c 653e _utility\n-000257c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-000259f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025a00: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00025a10: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-00025a20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00025a30: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming...\n-00025c40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-00025c90: 6720 6964 3d22 6564 6765 3232 3722 2063 g id=\"edge227\" c\n-00025ca0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00025cc0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00025cd0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00025ce0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025cf0: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n-00025d00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n-00025e90: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n-00025ea0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n-00025eb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00025ec0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility......module_src_gr\n-00026270: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00026280: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00026290: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000262a0: 735f 7472 616a 6563 746f 7279 3c2f 7469 s_trajectory.\n-00026380: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n-00026470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026480: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00026490: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000264a0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-000264b0: 7469 6c3c 2f74 6974 6c65 3e0a 3c70 6174 til....<\n-00026630: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00026640: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00026650: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00026660: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00026670: 6373 5f63 6f6d 7061 7420 2d2d 3e0a 3c67 cs_compat -->..module_src_gr\n-000266b0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-000266c0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-000266d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000266e0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-000266f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-000269b0: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-000269c0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-000269d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000269e0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-000269f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00026a90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-00026b60: 3c67 2069 643d 2265 6467 6532 3430 2220 .module_src_\n-00026b90: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-00026ba0: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-00026bb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00026bc0: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils...\n-00026dd0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n-000270f0: 6f6d 6163 735f 7461 736b 6173 7369 676e 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6772 -- module_src_gr\n-000281c0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-000281d0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-000281e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000281f0: 6d64 7275 6e75 7469 6c69 7479 202d 2d3e mdrunutility -->\n-00028200: 0a3c 6720 6964 3d22 6564 6765 3234 3922 .<g id=\"edge249\"\n-00028210: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00028220: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00028230: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n-00028240: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n-00028250: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00028260: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n-00028270: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00028280: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00028290: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-000282a0: 652d 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2e38 312c -838.85 2544.81,\n-00028390: 2d38 3435 2e38 3422 2f3e 0a3c 2f67 3e0a -845.84\"/>.</g>.\n-000283a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-000283b0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-000283c0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n-000283d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000283e0: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-000283f0: 6964 3d22 6564 6765 3234 3822 2063 6c61 id=\"edge248\" cla\n-00028400: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00028410: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00028420: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n-00028430: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n-00028440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00028450: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......\n-000286a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000286b0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n-000286c0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-000286d0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-000286e0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils.<\n-000286f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00028700: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00028710: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00028720: 6179 3d22 352c 3222 2064 3d22 4d38 3539 ay=\"5,2\" d=\"M859\n-00028730: 2e35 2c2d 3730 372e 3837 4338 3132 2e36 .5,-707.87C812.6\n-00028740: 372c 2d36 3639 2e33 3820 3637 342e 3836 7,-669.38 674.86\n-00028750: 2c2d 3534 342e 3439 2036 3734 2e38 362c ,-544.49 674.86,\n-00028760: 2d34 3037 2e36 3620 3637 342e 3836 2c2d -407.66 674.86,-\n-00028770: 3430 372e 3636 2036 3734 2e38 362c 2d34 407.66 674.86,-4\n-00028780: 3037 2e36 3620 3637 342e 3836 2c2d 3334 07.66 674.86,-34\n-00028790: 322e 3739 2036 3734 2e38 362c 2d32 3830 2.79 674.86,-280\n-000287a0: 2e33 3820 3631 342e 3636 2c2d 3235 362e .38 614.66,-256.\n-000287b0: 3135 2036 3439 2e38 362c 2d32 3034 2e36 15 649.86,-204.6\n-000287c0: 3120 3636 362e 3931 2c2d 3137 392e 3635 1 666.91,-179.65\n-000287d0: 2036 3938 2e39 2c2d 3136 372e 3535 2037 698.9,-167.55 7\n-000287e0: 3236 2e31 322c 2d31 3631 2e36 3922 2f3e 26.12,-161.69\"/>\n-000287f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-00028860: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-000288b0: 0a3c 6720 6964 3d22 6564 6765 3235 3422 ..<\n-000288d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000288e0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-000288f0: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-00028900: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00028910: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-00028920: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-00028a70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00028a80: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-00028a90: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n-00028aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-00028ab0: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069 ardware -->..module_src_grom\n-00028af0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-00028b00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00028b10: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n-00028b20: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware...\n-00028cc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-00028d10: 3c67 2069 643d 2265 6467 6532 3538 2220 .module_src_\n-00028d40: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00028d50: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-00028d60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00028d70: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-00028d80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00028d90: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00028da0: 2220 643d 224d 3236 3131 2e34 362c 2d38 \" d=\"M2611.46,-8\n-00028db0: 3539 2e39 3143 3236 3138 2e37 382c 2d38 59.91C2618.78,-8\n-00028dc0: 3639 2e31 3620 3236 3237 2e38 382c 2d38 69.16 2627.88,-8\n-00028dd0: 3832 2e35 3720 3236 3331 2e38 362c 2d38 82.57 2631.86,-8\n-00028de0: 3936 2e31 3820 3236 3537 2e31 322c 2d39 96.18 2657.12,-9\n-00028df0: 3832 2e34 3920 3236 3431 2e38 382c 2d31 82.49 2641.88,-1\n-00028e00: 3039 312e 3538 2032 3633 332e 342c 2d31 091.58 2633.4,-1\n-00028e10: 3133 372e 3739 222f 3e0a 3c70 6f6c 7967 137.79\"/>.....modu\n-00028f10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00028f20: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-00028f30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00028f40: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00028f50: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne...<\n-00029080: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n-000290d0: 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drunutility-\n-00029590: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000295a0: 726f 6d61 6373 5f6d 6472 756e 3c2f 7469 romacs_mdrun</ti\n-000295b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000295c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-000295d0: 6564 2220 643d 224d 3235 3536 2e32 312c ed\" d=\"M2556.21,\n-000295e0: 2d38 3432 2e31 3943 3234 3237 2e35 312c -842.19C2427.51,\n-000295f0: 2d38 3331 2e34 3820 3230 3537 2e37 352c -831.48 2057.75,\n-00029600: 2d37 3939 2e36 2031 3933 342e 3936 2c2d -799.6 1934.96,-\n-00029610: 3738 382e 3633 222f 3e0a 3c70 6f6c 7967 788.63\"/>.<polyg\n-00029620: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n-00029630: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n-00029640: 733d 2231 3933 352e 3133 2c2d 3738 352e s=\"1935.13,-785.\n-00029650: 3133 2031 3932 342e 3836 2c2d 3738 372e 13 1924.86,-787.\n-00029660: 3733 2031 3933 342e 3531 2c2d 3739 322e 73 1934.51,-792.\n-00029670: 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6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-00029930: 6172 6520 2d2d 3e0a 3c67 2069 643d 2265 are -->.<g id=\"e\n-00029940: 6467 6532 3632 2220 636c 6173 733d 2265 dge262\" class=\"e\n-00029950: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00029960: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00029970: 7369 6d64 2623 3435 3b26 6774 3b6d 6f64 simd->mod\n-00029980: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00029990: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-000299a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-00029a00: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-00029a70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-00029ae0: 7372 635f 6772 6f6d 6163 735f 7369 6d64 src_gromacs_simd\n-00029af0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00029b00: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n-00029b10: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons......modul\n-00029d60: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n-00029d70: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00029d80: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-00029d90: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......\n-00029f00: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00029f10: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00029f20: 746f 7279 616e 616c 7973 6973 2623 3435 toryanalysis-\n-00029f30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00029f40: 6772 6f6d 6163 735f 7374 6174 6973 7469 gromacs_statisti\n-00029f50: 6373 3c2f 7469 746c 653e 0a3c 7061 7468 cs..<\n-00029fe0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00029ff0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0002a000: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0002a010: 3336 3930 2e38 382c 2d31 3234 302e 3432 3690.88,-1240.42\n-0002a020: 2033 3639 392e 3234 2c2d 3132 3333 2e39 3699.24,-1233.9\n-0002a030: 3220 3336 3838 2e36 342c 2d31 3233 332e 2 3688.64,-1233.\n-0002a040: 3739 2033 3639 302e 3838 2c2d 3132 3430 79 3690.88,-1240\n-0002a050: 2e34 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .42\"/>...<\n-0002a0b0: 6720 6964 3d22 6564 6765 3237 3022 2063 g id=\"edge270\" c\n-0002a0c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0002a0e0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0002a0f0: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n-0002a100: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0002a110: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology......module_src_grom\n-0002a350: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n-0002a360: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n-0002a370: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002a380: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-0002a390: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n-0002a520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002a530: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n-0002a540: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0002a550: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-0002a560: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions.<\n-0002a570: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002a580: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0002a590: 643d 224d 3335 3737 2e33 392c 2d31 3237 d=\"M3577.39,-127\n-0002a5a0: 342e 3938 4333 3539 392c 2d31 3236 362e 4.98C3599,-1266.\n-0002a5b0: 3738 2033 3632 372e 3237 2c2d 3132 3534 78 3627.27,-1254\n-0002a5c0: 2e30 3820 3336 3438 2e38 362c 2d31 3233 .08 3648.86,-123\n-0002a5d0: 372e 3420 3336 3633 2e32 312c 2d31 3232 7.4 3663.21,-122\n-0002a5e0: 362e 3332 2033 3639 302e 3832 2c2d 3131 6.32 3690.82,-11\n-0002a5f0: 3839 2e36 3220 3337 3030 2e38 362c 2d31 89.62 3700.86,-1\n-0002a600: 3137 342e 3533 2033 3735 312e 3132 2c2d 174.53 3751.12,-\n-0002a610: 3130 3939 2e30 3120 3337 3134 2e39 322c 1099.01 3714.92,\n-0002a620: 2d31 3235 302e 3237 2033 3932 372e 3836 -1250.27 3927.86\n-0002a630: 2c2d 3733 342e 3434 2033 3933 392e 3035 ,-734.44 3939.05\n-0002a640: 2c2d 3730 372e 3334 2033 3934 312e 3039 ,-707.34 3941.09\n-0002a650: 2c2d 3730 302e 3120 3339 3437 2e38 362c ,-700.1 3947.86,\n-0002a660: 2d36 3731 2e35 3720 3339 3532 2e30 322c -671.57 3952.02,\n-0002a670: 2d36 3534 2e30 3520 3339 3535 2e31 342c -654.05 3955.14,\n-0002a680: 2d36 3333 2e39 2033 3935 372e 3136 2c2d -633.9 3957.16,-\n-0002a690: 3631 382e 3835 222f 3e0a 3c70 6f6c 7967 618.85\"/>.....module_\n-0002a790: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0002a7a0: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n-0002a7b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002a7c0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-0002a7d0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline....\n-0002a8e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-0002abd0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n-0002abe0: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n-0002abf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002ac00: 7372 635f 6772 6f6d 6163 735f 616e 616c src_gromacs_anal\n-0002ac10: 7973 6973 6461 7461 3c2f 7469 746c 653e ysisdata\n-0002ac20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n-0002ada0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-0002adb0: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n-0002adc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002add0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0002ade0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module\n-0002afa0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6f _src_gromacs_coo\n-0002afb0: 7264 696e 6174 6569 6f3c 2f74 6974 6c65 rdinateio</title\n-0002afc0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533 >.<g id=\"a_node3\n-0002afd0: 3922 3e3c 6120 786c 696e 6b3a 6872 6566 9\"><a xlink:href\n-0002afe0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n-0002aff0: 5f63 6f6f 7264 696e 6174 6569 6f2e 7868 _coordinateio.xh\n-0002b000: 746d 6c22 2074 6172 6765 743d 225f 746f tml\" target=\"_to\n-0002b010: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22 p\" xlink:title=\"\n-0002b020: 636f 6f72 6469 6e61 7465 696f 223e 0a3c coordinateio\">.<\n-0002b030: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n-0002b040: 6663 6363 6322 2073 7472 6f6b 653d 2262 fcccc\" stroke=\"b\n-0002b050: 6c61 636b 2220 6378 3d22 3338 3434 2e38 lack\" cx=\"3844.8\n-0002b060: 3622 2063 793d 222d 3732 312e 3031 2220 6\" cy=\"-721.01\" \n-0002b070: 7278 3d22 3438 2e35 3822 2072 793d 2231 rx=\"48.58\" ry=\"1\n-0002b080: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-0002b090: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-0002b0a0: 6522 2078 3d22 3338 3434 2e38 3622 2079 e\" x=\"3844.86\" y\n-0002b0b0: 3d22 2d37 3138 2e35 3122 2066 6f6e 742d 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616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-0002b1b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002b1c0: 6163 735f 636f 6f72 6469 6e61 7465 696f acs_coordinateio\n-0002b1d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0002b330: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n-0002b3b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0002b3c0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n-0002b3d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0002b3e0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n-0002b3f0: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom..<\n-0002b540: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-0002b550: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-0002b560: 636b 2220 706f 696e 7473 3d22 3139 3738 ck\" points=\"1978\n-0002b570: 2e30 332c 2d37 3334 2e35 3420 3139 3637 .03,-734.54 1967\n-0002b580: 2e36 362c 2d37 3332 2e33 3620 3139 3734 .66,-732.36 1974\n-0002b590: 2e34 312c 2d37 3430 2e35 3320 3139 3738 .41,-740.53 1978\n-0002b5a0: 2e30 332c 2d37 3334 2e35 3422 2f3e 0a3c .03,-734.54\"/>.<\n-0002b5b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-0002b630: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002b640: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n-0002b650: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0002b660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0002b670: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n-0002b680: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0002b690: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0002b6a0: 6662 6622 2064 3d22 4d33 3532 342e 3335 fbf\" d=\"M3524.35\n-0002b6b0: 2c2d 3132 3733 2e38 3543 3334 3730 2e30 ,-1273.85C3470.0\n-0002b6c0: 382c 2d31 3234 312e 3431 2033 3332 362e 8,-1241.41 3326.\n-0002b6d0: 3836 2c2d 3131 3530 2e39 3120 3333 3236 86,-1150.91 3326\n-0002b6e0: 2e38 362c 2d31 3039 392e 3233 2033 3332 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2e32 3220 3331 3538 2e38 382c 2d34 3933 .22 3158.88,-493\n-0002b7e0: 2e38 3120 3331 3635 2e35 332c 2d34 3931 .81 3165.53,-491\n-0002b7f0: 2e36 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d .61\"/>.</g>.<!--\n-0002b800: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-0002b810: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n-0002b820: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n-0002b830: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002b840: 735f 7062 6375 7469 6c20 2d2d 3e0a 3c67 s_pbcutil -->.<g\n-0002b850: 2069 643d 2265 6467 6532 3639 2220 636c id=\"edge269\" cl\n-0002b860: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0002b870: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0002b880: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-0002b890: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n-0002b8a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002b8b0: 6163 735f 7062 6375 7469 6c3c 2f74 6974 acs_pbcutil</tit\n-0002b8c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0002b8d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0002b8e0: 6662 6662 6622 2064 3d22 4d33 3438 302e fbfbf\" d=\"M3480.\n-0002b8f0: 3931 2c2d 3132 3834 2e30 3543 3333 3638 91,-1284.05C3368\n-0002b900: 2e34 312c 2d31 3237 372e 3132 2033 3134 .41,-1277.12 314\n-0002b910: 362e 3836 2c2d 3132 3434 2e39 3920 3331 6.86,-1244.99 31\n-0002b920: 3436 2e38 362c 2d31 3039 392e 3233 2033 46.86,-1099.23 3\n-0002b930: 3134 362e 3836 2c2d 3130 3939 2e32 3320 146.86,-1099.23 \n-0002b940: 3331 3436 2e38 362c 2d31 3039 392e 3233 3146.86,-1099.23\n-0002b950: 2033 3134 362e 3836 2c2d 3937 312e 3439 3146.86,-971.49\n-0002b960: 2033 3134 362e 3836 2c2d 3839 322e 3420 3146.86,-892.4 \n-0002b970: 3330 3635 2e36 362c 2d36 3936 2e34 3620 3065.66,-696.46 \n-0002b980: 3330 3035 2e38 362c 2d36 3434 2e37 2032 3005.86,-644.7 2\n-0002b990: 3937 362e 3531 2c2d 3631 392e 3239 2032 976.51,-619.29 2\n-0002b9a0: 3838 302e 3035 2c2d 3539 322e 3939 2032 880.05,-592.99 2\n-0002b9b0: 3834 322e 3836 2c2d 3538 312e 3833 2032 842.86,-581.83 2\n-0002b9c0: 3737 392e 3539 2c2d 3536 322e 3835 2032 779.59,-562.85 2\n-0002b9d0: 3730 342e 312c 2d35 3437 2e39 3820 3236 704.1,-547.98 26\n-0002b9e0: 3539 2e34 352c 2d35 3339 2e39 3622 2f3e 59.45,-539.96\"/>\n-0002b9f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0002ba00: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-0002ba10: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-0002ba20: 3d22 3236 3630 2e30 362c 2d35 3336 2e35 =\"2660.06,-536.5\n-0002ba30: 3120 3236 3439 2e36 2c2d 3533 382e 3231 1 2649.6,-538.21\n-0002ba40: 2032 3635 382e 3834 2c2d 3534 332e 3420 2658.84,-543.4 \n-0002ba50: 3236 3630 2e30 362c 2d35 3336 2e35 3122 2660.06,-536.51\"\n-0002ba60: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0002ba70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002ba80: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-0002ba90: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n-0002baa0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0002bab0: 7870 7265 7072 6f63 6573 7320 2d2d 3e0a xpreprocess -->.\n-0002bac0: 3c67 2069 643d 2265 6467 6532 3737 2220 <g id=\"edge277\" \n-0002bad0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0002bae0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0002baf0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-0002bb00: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n-0002bb10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002bb20: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-0002bb30: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess..\n-0002bcf0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-0002bdc0: 0a3c 6720 6964 3d22 6564 6765 3236 3722 ..<\n-0002bde0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002bdf0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-0002be00: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n-0002be10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002be20: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-0002be30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n-0002bff0: 6720 6964 3d22 6564 6765 3238 3622 2063 g id=\"edge286\" c\n-0002c000: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0002c020: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-0002c030: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0002c040: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0002c050: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n-0002c140: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-0002c1b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0002c1c0: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n-0002c1d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002c1e0: 5f6d 6174 683c 2f74 6974 6c65 3e0a 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616e 6126 _gromacs_gmxana&\n-0002ce00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0002ce10: 7263 5f67 726f 6d61 6373 5f6c 696e 6561 rc_gromacs_linea\n-0002ce20: 7261 6c67 6562 7261 3c2f 7469 746c 653e ralgebra\n-0002ce30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-0002d080: 0a3c 6720 6964 3d22 6564 6765 3238 3022 ..<\n-0002d0a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0002d0b0: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n-0002d0c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0002d0d0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0002d0e0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o...<\n-0002d230: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-0002d2a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002d2b0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n-0002d2c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0002d2d0: 6163 735f 7075 6c6c 696e 673c 2f74 6974 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636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0002dcd0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0002dce0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-0002dcf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002dd00: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n-0002dd10: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gr\n-0002df60: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-0002df70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0002df80: 6772 6f6d 6163 735f 636f 7272 656c 6174 gromacs_correlat\n-0002df90: 696f 6e66 756e 6374 696f 6e73 3c2f 7469 ionfunctions...\n-0002e0a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-0002e120: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0002e130: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-0002e140: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002e150: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-0002e160: 6973 3c2f 7469 746c 653e 0a3c 7061 7468 is...\n-0002e2d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-0002e340: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0002e350: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-0002e360: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002e370: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n-0002e380: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0002e390: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-0002e3a0: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-0002e3b0: 3d22 352c 3222 2064 3d22 4d32 3639 372e =\"5,2\" d=\"M2697.\n-0002e3c0: 3134 2c2d 3135 3238 2e32 3143 3236 3734 14,-1528.21C2674\n-0002e3d0: 2e34 392c 2d31 3531 392e 3220 3236 3339 .49,-1519.2 2639\n-0002e3e0: 2e36 342c 2d31 3530 342e 3533 2032 3631 .64,-1504.53 261\n-0002e3f0: 302e 3836 2c2d 3134 3838 2e38 3820 3233 0.86,-1488.88 23\n-0002e400: 3333 2e36 392c 2d31 3333 382e 3135 2032 33.69,-1338.15 2\n-0002e410: 3232 342e 3236 2c2d 3133 3134 2e33 3220 224.26,-1314.32 \n-0002e420: 3230 3533 2e38 362c 2d31 3034 382e 3739 2053.86,-1048.79\n-0002e430: 2031 3938 382e 3337 2c2d 3934 362e 3734 1988.37,-946.74\n-0002e440: 2031 3936 302e 3635 2c2d 3830 302e 3436 1960.65,-800.46\n-0002e450: 2031 3935 322e 3034 2c2d 3734 342e 3734 1952.04,-744.74\n-0002e460: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....module_src_gro\n-0002e7e0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0002e7f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0002e800: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil......\n-0002ea50: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0002ea60: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-0002ea70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0002ea80: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0002ea90: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......mod\n-0002ec30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002ec40: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n-0002ec50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002ec60: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-0002ec70: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh....<\n-0002ed80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0002ed90: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0002eda0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0002edb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002edc0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->..module_src_gro\n-0002ee00: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-0002ee10: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-0002ee20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0002ee30: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-0002ee40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path 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2032 3732 362e 3732 2c2d 3130 3735 92 2726.72,-1075\n-0002ef40: 2e31 3520 3237 3131 2e32 372c 2d31 3039 .15 2711.27,-109\n-0002ef50: 362e 3139 2032 3636 342e 3836 2c2d 3131 6.19 2664.86,-11\n-0002ef60: 3734 2e35 3320 3235 3830 2e31 2c2d 3133 74.53 2580.1,-13\n-0002ef70: 3137 2e35 3920 3235 3437 2e34 342c 2d31 17.59 2547.44,-1\n-0002ef80: 3337 392e 3320 3233 3837 2e38 362c 2d31 379.3 2387.86,-1\n-0002ef90: 3432 362e 3031 2032 3235 342e 3735 2c2d 426.01 2254.75,-\n-0002efa0: 3134 3634 2e39 3720 3230 3839 2e37 392c 1464.97 2089.79,\n-0002efb0: 2d31 3437 322e 3839 2032 3030 392e 3433 -1472.89 2009.43\n-0002efc0: 2c2d 3134 3734 2e33 222f 3e0a 3c70 6f6c ,-1474.3\"/>.....module_\n-0002f0c0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0002f0d0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-0002f0e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002f0f0: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math</titl\n-0002f100: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0002f110: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-0002f120: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-0002f130: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0002f140: 4d32 3431 382e 3333 2c2d 3730 372e 3943 M2418.33,-707.9C\n-0002f150: 3233 3633 2e34 372c 2d36 3632 2e35 3820 2363.47,-662.58 \n-0002f160: 3231 3632 2e38 332c 2d35 3030 2e30 3720 2162.83,-500.07 \n-0002f170: 3139 3739 2e38 362c 2d33 3933 2e32 3220 1979.86,-393.22 \n-0002f180: 3139 3535 2e33 362c 2d33 3738 2e39 3120 1955.36,-378.91 \n-0002f190: 3139 3235 2e39 2c2d 3336 352e 3634 2031 1925.9,-365.64 1\n-0002f1a0: 3930 342e 3433 2c2d 3335 362e 3632 222f 904.43,-356.62\"/\n-0002f1b0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-0002f1c0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0002f1d0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-0002f1e0: 733d 2231 3930 352e 3735 2c2d 3335 332e 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8.82\"/>.<polygon\n+00002f90: 2066 696c 6c3d 2223 3263 6363 3238 2220 fill=\"#2ccc28\" \n+00002fa0: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n+00002fb0: 2070 6f69 6e74 733d 2231 3139 312e 3836 points=\"1191.86\n+00002fc0: 2c2d 3231 352e 3332 2031 3138 312e 3837 ,-215.32 1181.87\n+00002fd0: 2c2d 3231 382e 3835 2031 3139 312e 3839 ,-218.85 1191.89\n+00002fe0: 2c2d 3232 322e 3332 2031 3139 312e 3836 ,-222.32 1191.86\n+00002ff0: 2c2d 3231 352e 3332 222f 3e0a 3c2f 673e ,-215.32\"/>.</g>\n+00003000: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00003010: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00003020: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6531 -->.<g id=\"node1\n+00003030: 3922 2063 6c61 7373 3d22 6e6f 6465 223e 9\" class=\"node\">\n+00003040: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00003050: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00003060: 6f3c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 o..fileio....module_\n+000031a0: 7372 635f 7072 6f67 7261 6d73 5f6d 6472 src_programs_mdr\n+000031b0: 756e 5f74 6573 7473 2623 3435 3b26 6774 un_tests->\n+000031c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000031d0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+000031e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000031f0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+00003200: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+00003210: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00003220: 4d34 3135 312e 3633 2c2d 3136 3630 2e39 M4151.63,-1660.9\n+00003230: 3943 3430 3634 2e34 362c 2d31 3635 372e 9C4064.46,-1657.\n+00003240: 3134 2033 3933 352e 3232 2c2d 3136 3436 14 3935.22,-1646\n+00003250: 2e31 3320 3338 3938 2c2d 3136 3134 2e36 .13 3898,-1614.6\n+00003260: 3220 3338 3731 2e31 392c 2d31 3539 312e 2 3871.19,-1591.\n+00003270: 3932 2033 3837 342c 2d31 3537 342e 3434 92 3874,-1574.44\n+00003280: 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735f 636f 6d6d 616e 646c gromacs_commandl\n+00003640: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine....\n+000037c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+000039c0: 6475 6c65 5f73 7263 5f70 726f 6772 616d dule_src_program\n+000039d0: 735f 6d64 7275 6e5f 7465 7374 7326 2334 s_mdrun_tests\n+000039e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000039f0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n+00003a00: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00003a10: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00003a20: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+00003a30: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00003a40: 2064 3d22 4d34 3135 302e 3231 2c2d 3136 d=\"M4150.21,-16\n+00003a50: 3631 2e39 3343 3430 3936 2e34 372c 2d31 61.93C4096.47,-1\n+00003a60: 3635 372e 3833 2034 3032 372e 332c 2d31 657.83 4027.3,-1\n+00003a70: 3634 362e 3035 2033 3937 342c 2d31 3631 646.05 3974,-161\n+00003a80: 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735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n+00003c60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00003c70: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00003c80: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00003c90: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00003ca0: 3431 3532 2c2d 3136 3630 2e35 3943 3430 4152,-1660.59C40\n+00003cb0: 3438 2e31 322c 2d31 3635 362e 3237 2033 48.12,-1656.27 3\n+00003cc0: 3837 372e 3134 2c2d 3136 3434 2e37 2033 877.14,-1644.7 3\n+00003cd0: 3832 322c 2d31 3631 342e 3632 2033 3738 822,-1614.62 378\n+00003ce0: 332e 3934 2c2d 3135 3933 2e38 3620 3337 3.94,-1593.86 37\n+00003cf0: 3630 2c2d 3135 3832 2e36 3720 3337 3630 60,-1582.67 3760\n+00003d00: 2c2d 3135 3339 2e33 3220 3337 3630 2c2d ,-1539.32 3760,-\n+00003d10: 3135 3339 2e33 3220 3337 3630 2c2d 3135 1539.32 3760,-15\n+00003d20: 3339 2e33 3220 3337 3630 2c2d 3132 3232 39.32 3760,-1222\n+00003d30: 2e39 3720 3337 3630 2c2d 3132 3038 2e38 .97 3760,-1208.8\n+00003d40: 3920 3337 3538 2e38 352c 2d31 3138 352e 9 3758.85,-1185.\n+00003d50: 3833 2033 3434 332c 2d31 3134 372e 3636 83 3443,-1147.66\n+00003d60: 2033 3131 342e 3137 2c2d 3131 3037 2e39 3114.17,-1107.9\n+00003d70: 3220 3230 3338 2e38 382c 2d31 3130 302e 2 2038.88,-1100.\n+00003d80: 3520 3138 3230 2e37 392c 2d31 3039 392e 5 1820.79,-1099.\n+00003d90: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+00003da0: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n+00003db0: 6f6b 653d 2223 3263 6363 3238 2220 706f oke=\"#2ccc28\" po\n+00003dc0: 696e 7473 3d22 3138 3230 2e35 312c 2d31 ints=\"1820.51,-1\n+00003dd0: 3039 352e 3920 3138 3130 2e34 392c 2d31 095.9 1810.49,-1\n+00003de0: 3039 392e 3335 2031 3832 302e 3437 2c2d 099.35 1820.47,-\n+00003df0: 3131 3032 2e39 2031 3832 302e 3531 2c2d 1102.9 1820.51,-\n+00003e00: 3130 3935 2e39 222f 3e0a 3c2f 673e 0a3c 1095.9\"/>.</g>.<\n+00003e10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00003e20: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00003e30: 7961 6e61 6c79 7369 7320 2d2d 3e0a 3c67 yanalysis -->.<g\n+00003e40: 2069 643d 226e 6f64 6534 3322 2063 6c61 id=\"node43\" cla\n+00003e50: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n+00003e60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00003e70: 6d61 6373 5f74 7261 6a65 6374 6f72 7961 macs_trajectorya\n+00003e80: 6e61 6c79 7369 733c 2f74 6974 6c65 3e0a nalysis.\n+00003e90: 3c67 2069 643d 2261 5f6e 6f64 6534 3322 ..\n+00003f60: 3c74 6578 7420 7465 7874 2d61 6e63 686f trajec\n+00003fc0: 746f 7279 616e 616c 7973 6973 3c2f 7465 toryanalysis......m\n+00004060: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n+00004070: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n+00004080: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00004090: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+000040a0: 746f 7279 616e 616c 7973 6973 3c2f 7469 toryanalysis</ti\n+000040b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000040c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000040d0: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n+000040e0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000040f0: 3d22 4d34 3136 312e 3839 2c2d 3136 3537 =\"M4161.89,-1657\n+00004100: 2e30 3143 3338 3139 2e39 322c 2d31 3632 .01C3819.92,-162\n+00004110: 382e 3731 2032 3338 302e 3836 2c2d 3135 8.71 2380.86,-15\n+00004120: 3039 2e36 3220 3230 3438 2e36 332c 2d31 09.62 2048.63,-1\n+00004130: 3438 322e 3133 222f 3e0a 3c70 6f6c 7967 482.13\"/>.<polyg\n+00004140: 6f6e 2066 696c 6c3d 2223 3263 6363 3238 on fill=\"#2ccc28\n+00004150: 2220 7374 726f 6b65 3d22 2332 6363 6332 \" stroke=\"#2ccc2\n+00004160: 3822 2070 6f69 6e74 733d 2232 3034 382e 8\" points=\"2048.\n+00004170: 3932 2c2d 3134 3738 2e36 3420 3230 3338 92,-1478.64 2038\n+00004180: 2e36 372c 2d31 3438 312e 3320 3230 3438 .67,-1481.3 2048\n+00004190: 2e33 352c 2d31 3438 352e 3631 2032 3034 .35,-1485.61 204\n+000041a0: 382e 3932 2c2d 3134 3738 2e36 3422 2f3e 8.92,-1478.64\"/>\n+000041b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000041c0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000041d0: 7861 6e61 202d 2d3e 0a3c 6720 6964 3d22 xana -->.<g id=\"\n+000041e0: 6e6f 6465 3438 2220 636c 6173 733d 226e node48\" class=\"n\n+000041f0: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+00004200: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00004210: 676d 7861 6e61 3c2f 7469 746c 653e 0a3c gmxana.<\n+00004220: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+00004230: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+00004240: 6c61 636b 2220 6378 3d22 3232 3936 2220 lack\" cx=\"2296\" \n+00004250: 6379 3d22 2d31 3533 382e 3332 2220 7278 cy=\"-1538.32\" rx\n+00004260: 3d22 3335 2e32 3122 2072 793d 2231 332e =\"35.21\" ry=\"13.\n+00004270: 3337 222f 3e0a 3c74 6578 7420 7465 7874 37\"/>.\n+000042d0: 676d 7861 6e61 3c2f 7465 7874 3e0a 3c2f gmxana....module_src_pr\n+00004360: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n+00004370: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n+00004380: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00004390: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061 xana....<\n+000044a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f70 !-- module_src_p\n+000044b0: 726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n+000044c0: 7374 7326 2334 353b 2667 743b 6d6f 6475 sts->modu\n+000044d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000044e0: 7261 6a65 6374 6f72 7920 2d2d 3e0a 3c67 rajectory -->..module_src_pr\n+00004520: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n+00004530: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n+00004540: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00004550: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n+00004560: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n+00004740: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00004750: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n+00004760: 696f 6e3c 2f74 6974 6c65 3e0a 3c67 2069 ion...selection....\n+000048f0: 0a3c 6720 6964 3d22 6564 6765 3230 2220 ..module_src_\n+00004920: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00004930: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00004940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00004950: 5f73 656c 6563 7469 6f6e 3c2f 7469 746c _selection....<\n+00004af0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00004b00: 726f 6d61 6373 5f6d 6174 6820 2d2d 3e0a romacs_math -->.\n+00004b10: 3c67 2069 643d 226e 6f64 6539 2220 636c .module_src_gr\n+00004b40: 6f6d 6163 735f 6d61 7468 3c2f 7469 746c omacs_math..math....\n+00004c80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004c90: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00004ca0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00004cb0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+00004cc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+00004e70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00004e80: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+00004e90: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+00004ea0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00004eb0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+00004ec0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00004ed0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00004ee0: 6662 6662 6622 2064 3d22 4d31 3538 302e fbfbf\" d=\"M1580.\n+00004ef0: 3637 2c2d 3135 3935 2e39 3943 3134 3635 67,-1595.99C1465\n+00004f00: 2e32 332c 2d31 3538 352e 3536 2031 3230 .23,-1585.56 120\n+00004f10: 362c 2d31 3535 332e 3537 2031 3230 362c 6,-1553.57 1206,\n+00004f20: 2d31 3437 362e 3435 2031 3230 362c 2d31 -1476.45 1206,-1\n+00004f30: 3437 362e 3435 2031 3230 362c 2d31 3437 476.45 1206,-147\n+00004f40: 362e 3435 2031 3230 362c 2d31 3238 352e 6.45 1206,-1285.\n+00004f50: 3834 2031 3230 362c 2d31 3235 312e 3639 84 1206,-1251.69\n+00004f60: 2031 3334 322e 3431 2c2d 3130 3538 2e30 1342.41,-1058.0\n+00004f70: 3920 3133 3838 2e32 312c 2d39 3934 2e30 9 1388.21,-994.0\n+00004f80: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n+00004f90: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00004fa0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00004fb0: 696e 7473 3d22 3133 3931 2e33 2c2d 3939 ints=\"1391.3,-99\n+00004fc0: 352e 3735 2031 3339 342e 3238 2c2d 3938 5.75 1394.28,-98\n+00004fd0: 352e 3538 2031 3338 352e 3631 2c2d 3939 5.58 1385.61,-99\n+00004fe0: 312e 3637 2031 3339 312e 332c 2d39 3935 1.67 1391.3,-995\n+00004ff0: 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .75\"/>.</g>.<!--\n+00005000: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00005010: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00005020: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64 s -->.<g id=\"nod\n+00005030: 6531 3222 2063 6c61 7373 3d22 6e6f 6465 e12\" class=\"node\n+00005040: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00005050: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00005060: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n+00005070: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+00005080: 3132 223e 3c61 2078 6c69 6e6b 3a68 7265 12\"><a xlink:hre\n+00005090: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+000050a0: 5f5f 6c69 7374 6564 5f5f 666f 7263 6573 __listed__forces\n+000050b0: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n+000050c0: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n+000050d0: 653d 226c 6973 7465 645f 666f 7263 6573 e=\"listed_forces\n+000050e0: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n+000050f0: 3d22 2365 3563 6366 6622 2073 7472 6f6b =\"#e5ccff\" strok\n+00005100: 653d 2262 6c61 636b 2220 6378 3d22 3939 e=\"black\" cx=\"99\n+00005110: 3322 2063 793d 222d 3231 382e 3035 2220 3\" cy=\"-218.05\" \n+00005120: 7278 3d22 3530 2e38 3222 2072 793d 2231 rx=\"50.82\" ry=\"1\n+00005130: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+00005140: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+00005150: 6522 2078 3d22 3939 3322 2079 3d22 2d32 e\" x=\"993\" y=\"-2\n+00005160: 3135 2e35 3522 2066 6f6e 742d 6661 6d69 15.55\" font-fami\n+00005170: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n+00005180: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n+00005190: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces</t\n+000051a0: 6578 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c ext>.</a>.</g>.<\n+000051b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000051c0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+000051d0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+000051e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000051f0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00005200: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00005210: 6765 3139 2220 636c 6173 733d 2265 6467 ge19\" class=\"edg\n+00005220: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00005230: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00005240: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00005250: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00005260: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00005270: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces.....\n+000054a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000054b0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000054c0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+000054d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000054e0: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology</ti\n+000054f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00005500: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00005510: 6266 6266 6266 2220 643d 224d 3135 3932 bfbfbf\" d=\"M1592\n+00005520: 2e31 312c 2d31 3539 312e 3934 4331 3533 .11,-1591.94C153\n+00005530: 362e 3335 2c2d 3135 3738 2e34 3420 3134 6.35,-1578.44 14\n+00005540: 3436 2c2d 3135 3435 2e38 3620 3134 3436 46,-1545.86 1446\n+00005550: 2c2d 3134 3736 2e34 3520 3134 3436 2c2d ,-1476.45 1446,-\n+00005560: 3134 3736 2e34 3520 3134 3436 2c2d 3134 1476.45 1446,-14\n+00005570: 3736 2e34 3520 3134 3436 2c2d 3134 3131 76.45 1446,-1411\n+00005580: 2e35 3820 3134 3436 2c2d 3133 3637 2e30 .58 1446,-1367.0\n+00005590: 3920 3134 3834 2e32 332c 2d31 3332 372e 9 1484.23,-1327.\n+000055a0: 3439 2031 3531 302e 332c 2d31 3330 352e 49 1510.3,-1305.\n+000055b0: 3636 222f 3e0a 3c70 6f6c 7967 6f6e 2066 66\"/>.<polygon f\n+000055c0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+000055d0: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+000055e0: 6f69 6e74 733d 2231 3531 322e 3639 2c2d oints=\"1512.69,-\n+000055f0: 3133 3038 2e32 3220 3135 3138 2e32 372c 1308.22 1518.27,\n+00005600: 2d31 3239 392e 3231 2031 3530 382e 3239 -1299.21 1508.29\n+00005610: 2c2d 3133 3032 2e37 3820 3135 3132 2e36 ,-1302.78 1512.6\n+00005620: 392c 2d31 3330 382e 3232 222f 3e0a 3c2f 9,-1308.22\"/>.</\n+00005630: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00005640: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00005650: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n+00005660: 3136 2220 636c 6173 733d 226e 6f64 6522 16\" class=\"node\"\n+00005670: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00005680: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00005690: 623c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 b..<\n+000056f0: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00005700: 3d22 6d69 6464 6c65 2220 783d 2231 3336 =\"middle\" x=\"136\n+00005710: 3122 2079 3d22 2d35 3239 2e39 2220 666f 1\" y=\"-529.9\" fo\n+00005720: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+00005730: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+00005740: 3130 2e30 3022 3e6d 646c 6962 3c2f 7465 10.00\">mdlib...\n+000057c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000057d0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+000057e0: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+000057f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00005800: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00005810: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00005820: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00005830: 6662 6622 2064 3d22 4d31 3537 372e 3735 fbf\" d=\"M1577.75\n+00005840: 2c2d 3135 3937 2e39 3543 3134 3833 2e39 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2e34 2031 3330 362e 3736 2c2d 3535 64.4 1306.76,-55\n+00005940: 312e 3720 3133 3238 2e35 372c 2d35 3433 1.7 1328.57,-543\n+00005950: 2e36 3822 2f3e 0a3c 706f 6c79 676f 6e20 .68\"/>.<polygon \n+00005960: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00005970: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00005980: 706f 696e 7473 3d22 3133 3239 2e38 2c2d points=\"1329.8,-\n+00005990: 3534 362e 3936 2031 3333 382e 3036 2c2d 546.96 1338.06,-\n+000059a0: 3534 302e 3333 2031 3332 372e 3437 2c2d 540.33 1327.47,-\n+000059b0: 3534 302e 3336 2031 3332 392e 382c 2d35 540.36 1329.8,-5\n+000059c0: 3436 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21 46.96\"/>.</g>.<!\n+000059d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000059e0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+000059f0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00005a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+00005a10: 6263 7574 696c 202d 2d3e 0a3c 6720 6964 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2220 6378 3d22 3233 3130 2220 lack\" cx=\"2310\" \n+00005ef0: 6379 3d22 2d31 3535 2e31 3822 2072 783d cy=\"-155.18\" rx=\n+00005f00: 2233 312e 3634 2220 7279 3d22 3133 2e33 \"31.64\" ry=\"13.3\n+00005f10: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.gm\n+00005f70: 786c 6962 3c2f 7465 7874 3e0a 3c2f 673e xlib.\n+00005f80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00006000: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00006010: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00006020: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00006030: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...\n+00006200: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+00006250: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00006260: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00006270: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .p\n+00006320: 756c 6c69 6e67 3c2f 7465 7874 3e0a 3c2f ulling...\n+00006380: 3c67 2069 643d 2265 6467 6531 3422 2063 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6774 3b6d 6f64 756c 655f ->module_\n+000077c0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+000077d0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...\n+00007960: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00007b70: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00007b80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00007b90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00007ba0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un...\n+00007d00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+00007d20: 0a3c 6720 6964 3d22 6e6f 6465 3435 2220 ..module_src_\n+00007d50: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd..<\n+00007dc0: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+00007dd0: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n+00007de0: 6c61 636b 2220 6378 3d22 3137 3933 2220 lack\" cx=\"1793\" \n+00007df0: 6379 3d22 2d35 3935 2e32 3722 2072 783d cy=\"-595.27\" rx=\n+00007e00: 2232 3722 2072 793d 2231 332e 3337 222f \"27\" ry=\"13.37\"/\n+00007e10: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.imd...\n+00007e80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n+00007f00: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00007f10: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00007f20: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00007f30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+00008190: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+00008370: 0a3c 6720 6964 3d22 6564 6765 3135 2220 ..module_src_\n+000083a0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+000083b0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+000083c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000083d0: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random.\n+000083e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00008580: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00008600: 6163 735f 676d 7870 7265 7072 6f63 6573 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2e32 3120 3338 3230 2c2d 3733 342e 91.21 3820,-734.\n+00008960: 3434 2033 3833 312e 3934 2c2d 3631 372e 44 3831.94,-617.\n+00008970: 3731 2033 3831 332c 2d35 3837 2e38 3620 71 3813,-587.86 \n+00008980: 3338 3133 2c2d 3437 302e 3533 2033 3831 3813,-470.53 381\n+00008990: 332c 2d34 3730 2e35 3320 3338 3133 2c2d 3,-470.53 3813,-\n+000089a0: 3437 302e 3533 2033 3831 332c 2d34 3035 470.53 3813,-405\n+000089b0: 2e36 3620 3338 3133 2c2d 3332 322e 3234 .66 3813,-322.24\n+000089c0: 2033 3739 332c 2d33 3032 2e34 3620 3337 3793,-302.46 37\n+000089d0: 3933 2c2d 3231 392e 3035 2033 3739 332c 93,-219.05 3793,\n+000089e0: 2d32 3139 2e30 3520 3337 3933 2c2d 3231 -219.05 3793,-21\n+000089f0: 392e 3035 2033 3739 332c 2d31 3534 2e31 9.05 3793,-154.1\n+00008a00: 3820 3337 3933 2c2d 3131 362e 3037 2033 8 3793,-116.07 3\n+00008a10: 3737 382e 3935 2c2d 3130 352e 3831 2033 778.95,-105.81 3\n+00008a20: 3735 322c 2d37 382e 3837 2033 3733 362e 752,-78.87 3736.\n+00008a30: 3839 2c2d 3633 2e37 3620 3337 3136 2e30 89,-63.76 3716.0\n+00008a40: 372c 2d35 322e 3038 2033 3639 382e 3337 7,-52.08 3698.37\n+00008a50: 2c2d 3433 2e39 3822 2f3e 0a3c 706f 6c79 ,-43.98\"/>.<poly\n+00008a60: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+00008a70: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+00008a80: 6266 2220 706f 696e 7473 3d22 3336 3939 bf\" points=\"3699\n+00008a90: 2e34 382c 2d34 302e 3635 2033 3638 382e .48,-40.65 3688.\n+00008aa0: 3931 2c2d 3339 2e38 3520 3336 3936 2e36 91,-39.85 3696.6\n+00008ab0: 382c 2d34 372e 3036 2033 3639 392e 3438 8,-47.06 3699.48\n+00008ac0: 2c2d 3430 2e36 3522 2f3e 0a3c 2f67 3e0a ,-40.65\"/>.</g>.\n+00008ad0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00008ae0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00008af0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n+00008b00: 6720 6964 3d22 6e6f 6465 3530 2220 636c g id=\"node50\" cl\n+00008b10: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n+00008b20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00008b30: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00008b40: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+00008b50: 0a3c 6720 6964 3d22 615f 6e6f 6465 3530 ...awh.\n+00008c60: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+00008c70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00008c80: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00008c90: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00008ca0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008cb0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00008cc0: 7768 202d 2d3e 0a3c 6720 6964 3d22 6564 wh -->..module\n+00008cf0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00008d00: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00008d10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00008d20: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00008d30: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+00008d40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n+00008ec0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+00008f40: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+00008f50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00008f60: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+00008f70: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy...<\n+00009060: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+000090e0: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+000090f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00009100: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n+00009110: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+00009320: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00009330: 7263 5f67 726f 6d61 6373 5f73 656c 6563 rc_gromacs_selec\n+00009340: 7469 6f6e 2623 3435 3b26 6774 3b6d 6f64 tion->mod\n+00009350: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00009360: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+00009370: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00009480: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009490: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n+000094a0: 7020 2d2d 3e0a 3c67 2069 643d 226e 6f64 p -->..module\n+000094d0: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n+000094e0: 696e 6568 656c 703c 2f74 6974 6c65 3e0a inehelp.\n+000094f0: 3c67 2069 643d 2261 5f6e 6f64 6533 3122 ..onlinehelp\n+00009610: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......modu\n+000098b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+000098c0: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+000098d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000098e0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+000098f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path 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3139 2e36 3320 3137 3737 2e31 2c2d 1119.63 1777.1,-\n+000099f0: 3131 3232 2e31 3122 2f3e 0a3c 2f67 3e0a 1122.11\"/>.</g>.\n+00009a00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00009a10: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+00009a20: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00009a30: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+00009a40: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n+00009a50: 6467 6532 3922 2063 6c61 7373 3d22 6564 dge29\" class=\"ed\n+00009a60: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00009a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00009a80: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+00009a90: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00009aa0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n+00009ab0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00009ac0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+00009ad0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+00009ae0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00009af0: 4d31 3633 362e 3838 2c2d 3133 3435 2e37 M1636.88,-1345.7\n+00009b00: 3143 3135 3436 2e35 342c 2d31 3333 362e 1C1546.54,-1336.\n+00009b10: 3939 2031 3333 312e 3231 2c2d 3133 3035 99 1331.21,-1305\n+00009b20: 2e39 3120 3133 3930 2c2d 3132 3130 2e35 .91 1390,-1210.5\n+00009b30: 3320 3134 3434 2e35 342c 2d31 3132 322e 3 1444.54,-1122.\n+00009b40: 3034 2033 3030 302e 3634 2c2d 3537 312e 04 3000.64,-571.\n+00009b50: 3333 2033 3235 322e 3637 2c2d 3438 322e 33 3252.67,-482.\n+00009b60: 3539 222f 3e0a 3c70 6f6c 7967 6f6e 2066 59\"/>.<polygon f\n+00009b70: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n+00009b80: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n+00009b90: 6f69 6e74 733d 2233 3235 342e 3132 2c2d oints=\"3254.12,-\n+00009ba0: 3438 352e 3739 2033 3236 322e 3339 2c2d 485.79 3262.39,-\n+00009bb0: 3437 392e 3137 2033 3235 312e 382c 2d34 479.17 3251.8,-4\n+00009bc0: 3739 2e31 3920 3332 3534 2e31 322c 2d34 79.19 3254.12,-4\n+00009bd0: 3835 2e37 3922 2f3e 0a3c 2f67 3e0a 3c21 85.79\"/>.</g>.<!\n+00009be0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00009bf0: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n+00009c00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00009c10: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+00009c20: 6374 6f72 7920 2d2d 3e0a 3c67 2069 643d ctory -->.<g id=\n+00009c30: 2265 6467 6532 3722 2063 6c61 7373 3d22 \"edge27\" class=\"\n+00009c40: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00009c50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009c60: 5f73 656c 6563 7469 6f6e 2623 3435 3b26 _selection-&\n+00009c70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00009c80: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00009c90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+00009e60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00009e70: 635f 6772 6f6d 6163 735f 7374 6174 6973 c_gromacs_statis\n+00009e80: 7469 6373 3c2f 7469 746c 653e 0a3c 656c tics..sta\n+00009f40: 7469 7374 6963 733c 2f74 6578 743e 0a3c tistics.<\n+00009f50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+00009fd0: 6d61 6373 5f73 7461 7469 7374 6963 7326 macs_statistics&\n+00009fe0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00009ff0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+0000a000: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......module_src_gro\n+0000a210: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0000a220: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000a230: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0000a240: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess......mod\n+0000a3d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a3e0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+0000a3f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000a400: 5f73 656c 6563 7469 6f6e 3c2f 7469 746c _selection</titl\n+0000a410: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000a420: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+0000a430: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+0000a440: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+0000a450: 3132 332e 3334 2c2d 3136 3533 2e35 3443 123.34,-1653.54C\n+0000a460: 3132 3034 2e32 362c 2d31 3630 392e 3132 1204.26,-1609.12\n+0000a470: 2031 3534 352e 3131 2c2d 3134 3232 2e30 1545.11,-1422.0\n+0000a480: 3120 3136 3436 2e34 362c 2d31 3336 362e 1 1646.46,-1366.\n+0000a490: 3337 222f 3e0a 3c70 6f6c 7967 6f6e 2066 37\"/>.<polygon f\n+0000a4a0: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n+0000a4b0: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n+0000a4c0: 733d 2231 3634 382e 3432 2c2d 3133 3639 s=\"1648.42,-1369\n+0000a4d0: 2e32 3920 3136 3535 2e35 2c2d 3133 3631 .29 1655.5,-1361\n+0000a4e0: 2e34 3120 3136 3435 2e30 352c 2d31 3336 .41 1645.05,-136\n+0000a4f0: 332e 3135 2031 3634 382e 3432 2c2d 3133 3.15 1648.42,-13\n+0000a500: 3639 2e32 3922 2f3e 0a3c 2f67 3e0a 3c21 69.29\"/>.</g>.<!\n+0000a510: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0000a520: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+0000a530: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000a540: 726f 6d61 6373 5f6d 6174 6820 2d2d 3e0a romacs_math -->.\n+0000a550: 3c67 2069 643d 2265 6467 6533 3422 2063 <g id=\"edge34\" c\n+0000a560: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0000a570: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0000a580: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+0000a590: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a5a0: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n+0000a5b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000a5c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000a5d0: 6266 6266 6266 2220 643d 224d 3131 3130 bfbfbf\" d=\"M1110\n+0000a5e0: 2e35 332c 2d31 3635 302e 3638 4331 3133 .53,-1650.68C113\n+0000a5f0: 302e 3038 2c2d 3135 3938 2e36 3220 3132 0.08,-1598.62 12\n+0000a600: 3132 2e30 372c 2d31 3339 342e 3631 2031 12.07,-1394.61 1\n+0000a610: 3333 382c 2d31 3237 332e 3420 3133 3534 338,-1273.4 1354\n+0000a620: 2e36 312c 2d31 3235 372e 3431 2031 3337 .61,-1257.41 137\n+0000a630: 372e 3534 2c2d 3132 3435 2e30 3220 3133 7.54,-1245.02 13\n+0000a640: 3935 2e38 332c 2d31 3233 362e 3737 222f 95.83,-1236.77\"/\n+0000a650: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000a660: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+0000a670: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+0000a680: 733d 2231 3339 372e 3339 2c2d 3132 3339 s=\"1397.39,-1239\n+0000a690: 2e39 3120 3134 3035 2e31 382c 2d31 3233 .91 1405.18,-123\n+0000a6a0: 322e 3733 2031 3339 342e 3631 2c2d 3132 2.73 1394.61,-12\n+0000a6b0: 3333 2e34 3820 3133 3937 2e33 392c 2d31 33.48 1397.39,-1\n+0000a6c0: 3233 392e 3931 222f 3e0a 3c2f 673e 0a3c 239.91\"/>.</g>.<\n+0000a6d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000a6e0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+0000a6f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a700: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+0000a710: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+0000a720: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+0000a730: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000a740: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+0000a750: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000a760: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000a770: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module_src_gro\n+0000a990: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0000a9a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000a9b0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+0000a9c0: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces..<\n+0000ab60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000ab70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000ab80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000ab90: 3933 322e 3234 2c2d 3232 332e 3036 2039 932.24,-223.06 9\n+0000aba0: 3432 2e31 352c 2d32 3139 2e33 3120 3933 42.15,-219.31 93\n+0000abb0: 322e 3037 2c2d 3231 362e 3036 2039 3332 2.07,-216.06 932\n+0000abc0: 2e32 342c 2d32 3233 2e30 3622 2f3e 0a3c .24,-223.06\"/>.<\n+0000abd0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+0000ac40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000ac50: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0000ac60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ac70: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n+0000ac80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000ac90: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000aca0: 6266 6266 2220 643d 224d 3131 3136 2e37 bfbf\" d=\"M1116.7\n+0000acb0: 362c 2d31 3635 312e 3439 4331 3135 382e 6,-1651.49C1158.\n+0000acc0: 3037 2c2d 3136 3037 2e34 3120 3133 3131 07,-1607.41 1311\n+0000acd0: 2e34 342c 2d31 3434 362e 3934 2031 3435 .44,-1446.94 145\n+0000ace0: 362c 2d31 3333 362e 3237 2031 3437 312e 6,-1336.27 1471.\n+0000acf0: 3732 2c2d 3133 3234 2e32 3320 3134 3930 72,-1324.23 1490\n+0000ad00: 2e35 352c 2d31 3331 322e 3438 2031 3530 .55,-1312.48 150\n+0000ad10: 352e 3737 2c2d 3133 3033 2e35 3622 2f3e 5.77,-1303.56\"/>\n+0000ad20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000ad30: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0000ad40: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0000ad50: 3d22 3135 3037 2e38 312c 2d31 3330 362e =\"1507.81,-1306.\n+0000ad60: 3432 2031 3531 342e 3732 2c2d 3132 3938 42 1514.72,-1298\n+0000ad70: 2e34 2031 3530 342e 3331 2c2d 3133 3030 .4 1504.31,-1300\n+0000ad80: 2e33 3620 3135 3037 2e38 312c 2d31 3330 .36 1507.81,-130\n+0000ad90: 362e 3432 222f 3e0a 3c2f 673e 0a3c 212d 6.42\"/>.</g>.<!-\n+0000ada0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000adb0: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0000adc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000add0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+0000ade0: 3c67 2069 643d 2265 6467 6534 3522 2063 <g id=\"edge45\" c\n+0000adf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0000ae00: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0000ae10: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+0000ae20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ae30: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+0000ae40: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000ae50: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000ae60: 2362 6662 6662 6622 2064 3d22 4d31 3038 #bfbfbf\" d=\"M108\n+0000ae70: 312e 3138 2c2d 3136 3538 2e34 3543 3130 1.18,-1658.45C10\n+0000ae80: 3330 2e39 362c 2d31 3634 372e 3535 2039 30.96,-1647.55 9\n+0000ae90: 3232 2c2d 3136 3135 2e31 3520 3932 322c 22,-1615.15 922,\n+0000aea0: 2d31 3533 392e 3332 2039 3232 2c2d 3135 -1539.32 922,-15\n+0000aeb0: 3339 2e33 3220 3932 322c 2d31 3533 392e 39.32 922,-1539.\n+0000aec0: 3332 2039 3232 2c2d 3134 3131 2e35 3820 32 922,-1411.58 \n+0000aed0: 3932 322c 2d31 3137 372e 3236 2039 3535 922,-1177.26 955\n+0000aee0: 2c2d 3131 3137 2e31 3320 3130 3333 2c2d ,-1117.13 1033,-\n+0000aef0: 3839 362e 3138 2031 3036 342e 3234 2c2d 896.18 1064.24,-\n+0000af00: 3830 372e 3637 2031 3037 372e 3431 2c2d 807.67 1077.41,-\n+0000af10: 3738 362e 3633 2031 3132 382c 2d37 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m\n+0000b000: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000b010: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+0000b020: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b030: 6373 5f70 6263 7574 696c 202d 2d3e 0a3c cs_pbcutil -->.<\n+0000b040: 6720 6964 3d22 6564 6765 3431 2220 636c g id=\"edge41\" cl\n+0000b050: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0000b060: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0000b070: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+0000b080: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000b090: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil</\n+0000b0a0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000b0b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000b0c0: 2223 6266 6266 6266 2220 643d 224d 3130 \"#bfbfbf\" d=\"M10\n+0000b0d0: 3739 2e31 362c 2d31 3636 322e 3333 4339 79.16,-1662.33C9\n+0000b0e0: 3438 2e34 362c 2d31 3635 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6373 dule_src_gromacs\n+0000b570: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0000b580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000b590: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+0000b5a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0000b760: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+0000b850: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0000b860: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000b870: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options.....\n+0000bc80: 3c67 2069 643d 2265 6467 6533 3122 2063 .module_src_g\n+0000bcb0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+0000bcc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000bcd0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0000bce0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine....\n+0000be90: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gro\n+0000c190: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0000c1a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000c1b0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility......mo\n+0000c370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c380: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n+0000c390: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .t\n+0000c440: 696d 696e 673c 2f74 6578 743e 0a3c 2f67 iming....module\n+0000c4c0: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+0000c4d0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+0000c4e0: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n+0000c4f0: 6d69 6e67 3c2f 7469 746c 653e 0a3c 7061 ming...\n+0000c6e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0000c740: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000c750: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+0000c760: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000c770: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000c780: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n....\n+0000c910: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+0000c960: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000c970: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0000c980: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...\n+0000ca50: 3c74 6578 7420 7465 7874 2d61 6e63 686f taskass\n+0000cab0: 6967 6e6d 656e 743c 2f74 6578 743e 0a3c ignment.<\n+0000cac0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....mo\n+0000cb40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000cb50: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0000cb60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000cb70: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0000cb80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000ccb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+0000cda0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+0000cdb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000cdc0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random.....<\n+0000cfc0: 6720 6964 3d22 6564 6765 3339 2220 636c g id=\"edge39\" cl\n+0000cfd0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000cff0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+0000d000: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000d010: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0000d020: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....\n+0000d250: 0a3c 6720 6964 3d22 6564 6765 3533 2220 ..module_src_\n+0000d280: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+0000d290: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000d2a0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+0000d2b0: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h....<\n+0000d3a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000d3b0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+0000d3c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000d3d0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000d3e0: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->..modu\n+0000d410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000d420: 7075 5f75 7469 6c73 2623 3435 3b26 6774 pu_utils->\n+0000d430: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000d440: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+0000d450: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000d460: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000d470: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000d480: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000d490: 224d 3132 3938 2e30 312c 2d31 3032 332e \"M1298.01,-1023.\n+0000d4a0: 3139 4331 3331 362e 3632 2c2d 3130 3133 19C1316.62,-1013\n+0000d4b0: 2e30 3620 3133 3436 2e35 312c 2d39 3938 .06 1346.51,-998\n+0000d4c0: 2e30 3820 3133 3639 2e37 342c 2d39 3837 .08 1369.74,-987\n+0000d4d0: 2e32 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src_gromacs_mdty\n+0000e280: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000e290: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000e2a0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+0000e2b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+0000e410: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n+0000e420: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000e430: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math..\n+0000e4b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n+0000e5a0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000e5b0: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000e5c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0000e5d0: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n+0000e5e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0000e6f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0000e760: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e770: 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5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0000ec00: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n+0000ec10: 2265 6467 6536 3822 2063 6c61 7373 3d22 \"edge68\" class=\"\n+0000ec20: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0000ec30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000ec40: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+0000ec50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ec60: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+0000ec70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000ec80: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+0000ec90: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+0000eca0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000ecb0: 4d31 3434 312e 3234 2c2d 3937 312e 3033 M1441.24,-971.03\n+0000ecc0: 4331 3534 362e 362c 2d39 3639 2e33 3320 C1546.6,-969.33 \n+0000ecd0: 3138 3338 2e33 312c 2d39 3631 2e32 3320 1838.31,-961.23 \n+0000ece0: 3139 3236 2c2d 3932 332e 3035 2031 3934 1926,-923.05 194\n+0000ecf0: 322e 3431 2c2d 3931 352e 3931 2031 3934 2.41,-915.91 194\n+0000ed00: 312e 3034 2c2d 3930 362e 3031 2031 3935 1.04,-906.01 195\n+0000ed10: 362c 2d38 3936 2e31 3820 3139 3831 2e32 6,-896.18 1981.2\n+0000ed20: 352c 2d38 3739 2e35 3920 3230 3133 2e31 5,-879.59 2013.1\n+0000ed30: 2c2d 3836 352e 3737 2032 3033 362e 3839 ,-865.77 2036.89\n+0000ed40: 2c2d 3835 372e 3139 222f 3e0a 3c70 6f6c ,-857.19\"/>.<pol\n+0000ed50: 7967 6f6e 2066 696c 6c3d 2223 3263 6363 ygon fill=\"#2ccc\n+0000ed60: 3238 2220 7374 726f 6b65 3d22 2332 6363 28\" stroke=\"#2cc\n+0000ed70: 6332 3822 2070 6f69 6e74 733d 2232 3033 c28\" points=\"203\n+0000ed80: 382e 3235 2c2d 3836 302e 3432 2032 3034 8.25,-860.42 204\n+0000ed90: 362e 3535 2c2d 3835 332e 3834 2032 3033 6.55,-853.84 203\n+0000eda0: 352e 3936 2c2d 3835 332e 3831 2032 3033 5.96,-853.81 203\n+0000edb0: 382e 3235 2c2d 3836 302e 3432 222f 3e0a 8.25,-860.42\"/>.\n+0000edc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000edd0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0000ede0: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n+0000edf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000ee00: 646f 6d64 6563 202d 2d3e 0a3c 6720 6964 domdec -->.<g id\n+0000ee10: 3d22 6564 6765 3636 2220 636c 6173 733d =\"edge66\" class=\n+0000ee20: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000ee30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ee40: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+0000ee50: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000ee60: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec</tit\n+0000ee70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000ee80: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000ee90: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000eea0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000eeb0: 224d 3133 3936 2e34 352c 2d39 3539 2e32 \"M1396.45,-959.2\n+0000eec0: 3243 3133 3933 2e36 342c 2d39 3434 2e33 2C1393.64,-944.3\n+0000eed0: 3220 3133 3933 2e34 362c 2d39 3138 2e34 2 1393.46,-918.4\n+0000eee0: 2031 3339 342c 2d38 3936 2e31 3820 3133 1394,-896.18 13\n+0000eef0: 3937 2e34 2c2d 3735 362e 3337 2031 3431 97.4,-756.37 141\n+0000ef00: 352e 3734 2c2d 3732 312e 3437 2031 3430 5.74,-721.47 140\n+0000ef10: 382c 2d35 3831 2e38 3320 3134 3035 2e35 8,-581.83 1405.5\n+0000ef20: 352c 2d35 3337 2e36 3820 3134 3031 2e34 5,-537.68 1401.4\n+0000ef30: 392c 2d35 3236 2e39 3520 3133 3937 2c2d 9,-526.95 1397,-\n+0000ef40: 3438 322e 3936 2031 3339 352e 322c 2d34 482.96 1395.2,-4\n+0000ef50: 3635 2e33 3720 3133 3933 2e33 362c 2d34 65.37 1393.36,-4\n+0000ef60: 3435 2e34 3520 3133 3933 2e33 332c 2d34 45.45 1393.33,-4\n+0000ef70: 3330 2e35 3122 2f3e 0a3c 706f 6c79 676f 30.51\"/>.<polygo\n+0000ef80: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+0000ef90: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000efa0: 2220 706f 696e 7473 3d22 3133 3936 2e38 \" points=\"1396.8\n+0000efb0: 342c 2d34 3330 2e33 2031 3339 332e 3638 4,-430.3 1393.68\n+0000efc0: 2c2d 3432 302e 3139 2031 3338 392e 3834 ,-420.19 1389.84\n+0000efd0: 2c2d 3433 302e 3036 2031 3339 362e 3834 ,-430.06 1396.84\n+0000efe0: 2c2d 3433 302e 3322 2f3e 0a3c 2f67 3e0a ,-430.3\"/>.</g>.\n+0000eff0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000f000: 6772 6f6d 6163 735f 6d64 7479 7065 7326 gromacs_mdtypes&\n+0000f010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000f020: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+0000f030: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000f040: 3633 2220 636c 6173 733d 2265 6467 6522 63\" class=\"edge\"\n+0000f050: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000f060: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000f070: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000f080: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000f090: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald..<\n+0000f1a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000f1b0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000f1c0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000f1d0: 3934 302e 3738 2c2d 3336 372e 3338 2039 940.78,-367.38 9\n+0000f1e0: 3337 2e37 322c 2d33 3537 2e32 3420 3933 37.72,-357.24 93\n+0000f1f0: 332e 3739 2c2d 3336 372e 3038 2039 3430 3.79,-367.08 940\n+0000f200: 2e37 382c 2d33 3637 2e33 3822 2f3e 0a3c .78,-367.38\"/>.<\n+0000f210: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+0000f280: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f290: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+0000f2a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000f2b0: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+0000f2c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f2d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000f2e0: 3238 3266 6363 2220 643d 224d 3134 3133 282fcc\" d=\"M1413\n+0000f2f0: 2e34 382c 2d39 3835 2e34 3643 3134 3233 .48,-985.46C1423\n+0000f300: 2e38 382c 2d31 3030 322e 3539 2031 3433 .88,-1002.59 143\n+0000f310: 392e 3732 2c2d 3130 3333 2e36 3820 3134 9.72,-1033.68 14\n+0000f320: 3634 2c2d 3130 3438 2e37 3920 3135 3130 64,-1048.79 1510\n+0000f330: 2e35 362c 2d31 3037 372e 3737 2031 3636 .56,-1077.77 166\n+0000f340: 392e 3832 2c2d 3130 3930 2e34 3720 3137 9.82,-1090.47 17\n+0000f350: 3433 2e38 342c 2d31 3039 352e 3035 222f 43.84,-1095.05\"/\n+0000f360: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000f370: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000f380: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0000f390: 733d 2231 3734 332e 3933 2c2d 3130 3938 s=\"1743.93,-1098\n+0000f3a0: 2e35 3620 3137 3534 2e31 322c 2d31 3039 .56 1754.12,-109\n+0000f3b0: 352e 3637 2031 3734 342e 3335 2c2d 3130 5.67 1744.35,-10\n+0000f3c0: 3931 2e35 3820 3137 3433 2e39 332c 2d31 91.58 1743.93,-1\n+0000f3d0: 3039 382e 3536 222f 3e0a 3c2f 673e 0a3c 098.56\"/>.</g>.<\n+0000f3e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000f3f0: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+0000f400: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f410: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n+0000f420: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000f430: 3635 2220 636c 6173 733d 2265 6467 6522 65\" class=\"edge\"\n+0000f440: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000f450: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000f460: 7065 7326 2334 353b 2667 743b 6d6f 6475 pes->modu\n+0000f470: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0000f480: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming......module_src_gro\n+0000f620: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n+0000f630: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000f640: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000f650: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh...\n+0000f780: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+0000fc00: 3c67 2069 643d 2265 6467 6537 3822 2063 .module_src_g\n+0000fc30: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000fc40: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000fc50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000fc60: 6163 735f 746f 706f 6c6f 6779 3c2f 7469 acs_topology....\n+0000fe10: 0a3c 6720 6964 3d22 6564 6765 3733 2220 ..module_src_\n+0000fe40: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+0000fe50: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+0000fe60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000fe70: 6d61 6373 5f6c 696e 6561 7261 6c67 6562 macs_linearalgeb\n+0000fe80: 7261 3c2f 7469 746c 653e 0a3c 7061 7468 ra......modu\n+000100a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+000100b0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+000100c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000100d0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000100e0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.\n+00010180: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+00010270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010280: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+00010290: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000102a0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+000102b0: 7574 696c 3c2f 7469 746c 653e 0a3c 7061 util...\n+000103f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+00010440: 0a3c 6720 6964 3d22 6564 6765 3731 2220 ..module_src_\n+00010470: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+00010480: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+00010490: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000104a0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio......module_src_gro\n+00010670: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n+00010680: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n+00010690: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000106a0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+000106b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+000108b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000108c0: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+000108d0: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+000108e0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+000108f0: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec..\n+000109f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00010a70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010a80: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n+00010a90: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n+00010aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00010ab0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n+00010ac0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00010ad0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+00010ae0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+00010af0: 7272 6179 3d22 352c 3222 2064 3d22 4d32 rray=\"5,2\" d=\"M2\n+00010b00: 3838 302e 392c 2d34 3632 2e37 3343 3239 880.9,-462.73C29\n+00010b10: 3239 2e31 372c 2d34 3536 2e35 3120 3239 29.17,-456.51 29\n+00010b20: 3937 2e39 382c 2d34 3434 2e30 3920 3330 97.98,-444.09 30\n+00010b30: 3534 2c2d 3432 302e 3039 2033 3039 382e 54,-420.09 3098.\n+00010b40: 3835 2c2d 3430 302e 3838 2033 3230 352e 85,-400.88 3205.\n+00010b50: 3031 2c2d 3333 332e 3620 3332 3334 2c2d 01,-333.6 3234,-\n+00010b60: 3239 342e 3335 2033 3237 362e 3431 2c2d 294.35 3276.41,-\n+00010b70: 3233 362e 3934 2033 3234 372e 3736 2c2d 236.94 3247.76,-\n+00010b80: 3230 332e 3233 2033 3238 342c 2d31 3431 203.23 3284,-141\n+00010b90: 2e37 3420 3332 3930 2e32 352c 2d31 3331 .74 3290.25,-131\n+00010ba0: 2e31 3420 3332 3939 2e31 352c 2d31 3230 .14 3299.15,-120\n+00010bb0: 2e39 3320 3333 3037 2e33 392c 2d31 3132 .93 3307.39,-112\n+00010bc0: 2e36 3322 2f3e 0a3c 706f 6c79 676f 6e20 .63\"/>.<polygon \n+00010bd0: 6669 6c6c 3d22 626c 6163 6b22 2073 7472 fill=\"black\" str\n+00010be0: 6f6b 653d 2262 6c61 636b 2220 706f 696e oke=\"black\" poin\n+00010bf0: 7473 3d22 3333 3039 2e39 322c 2d31 3135 ts=\"3309.92,-115\n+00010c00: 2e30 3620 3333 3134 2e36 382c 2d31 3035 .06 3314.68,-105\n+00010c10: 2e36 2033 3330 352e 3035 2c2d 3131 302e .6 3305.05,-110.\n+00010c20: 3033 2033 3330 392e 3932 2c2d 3131 352e 03 3309.92,-115.\n+00010c30: 3036 222f 3e0a 3c2f 673e 0a3c 212d 2d20 06\"/>.</g>.<!-- \n+00010c40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00010c50: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+00010c60: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+00010c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010c80: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069 utility -->.<g i\n+00010c90: 643d 2265 6467 6537 3922 2063 6c61 7373 d=\"edge79\" class\n+00010ca0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00010cb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00010cc0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+00010cd0: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+00010ce0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010cf0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00010d00: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00010f90: 0a3c 6720 6964 3d22 6e6f 6465 3431 2220 ..module_src_\n+00010fc0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00010fd0: 6c69 7479 3c2f 7469 746c 653e 0a3c 6720 lity...\n+000110a0: 3c74 6578 7420 7465 7874 2d61 6e63 686f mdrunut\n+00011100: 696c 6974 793c 2f74 6578 743e 0a3c 2f61 ility......module_src_grom\n+000113c0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+000113d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000113e0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+000113f0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils.<\n+00011400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011410: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00011420: 2220 643d 224d 3937 352e 3333 2c2d 3233 \" d=\"M975.33,-23\n+00011430: 302e 3731 4339 3439 2e34 392c 2d32 3438 0.71C949.49,-248\n+00011440: 2e37 3820 3930 312e 392c 2d32 3836 2e31 .78 901.9,-286.1\n+00011450: 2038 3738 2c2d 3333 302e 3335 2038 3634 878,-330.35 864\n+00011460: 2e34 382c 2d33 3535 2e33 3820 3836 382e .48,-355.38 868.\n+00011470: 3638 2c2d 3336 342e 3920 3836 362c 2d33 68,-364.9 866,-3\n+00011480: 3933 2e32 3220 3834 332e 3237 2c2d 3633 93.22 843.27,-63\n+00011490: 332e 3539 2038 3833 2e36 352c 2d37 3034 3.59 883.65,-704\n+000114a0: 2e33 3820 3938 362c 2d39 3233 2e30 3520 .38 986,-923.05 \n+000114b0: 3939 392e 3834 2c2d 3935 322e 3632 2039 999.84,-952.62 9\n+000114c0: 3937 2e31 382c 2d39 3637 2e33 3120 3130 97.18,-967.31 10\n+000114d0: 3234 2c2d 3938 352e 3932 2031 3035 372e 24,-985.92 1057.\n+000114e0: 3234 2c2d 3130 3038 2e39 3920 3131 3638 24,-1008.99 1168\n+000114f0: 2e37 352c 2d31 3032 332e 3431 2031 3233 .75,-1023.41 123\n+00011500: 332e 3434 2c2d 3130 3330 2e30 3522 2f3e 3.44,-1030.05\"/>\n+00011510: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+00011600: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00011610: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+00011620: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011630: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math</ti\n+00011640: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00011650: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00011660: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n+00011670: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00011680: 3d22 4d31 3033 362e 3233 2c2d 3232 352e =\"M1036.23,-225.\n+00011690: 3343 3130 3533 2e38 312c 2d32 3237 2e36 3C1053.81,-227.6\n+000116a0: 3120 3130 3734 2e33 342c 2d32 3330 2e30 1 1074.34,-230.0\n+000116b0: 3220 3130 3933 2c2d 3233 312e 3438 2031 2 1093,-231.48 1\n+000116c0: 3334 302e 3337 2c2d 3235 302e 3831 2031 340.37,-250.81 1\n+000116d0: 3936 372e 3638 2c2d 3230 392e 3736 2032 967.68,-209.76 2\n+000116e0: 3230 392c 2d32 3637 2e34 3820 3233 3337 209,-267.48 2337\n+000116f0: 2e33 352c 2d32 3938 2e31 3820 3234 3032 .35,-298.18 2402\n+00011700: 2e37 382c 2d32 3834 2e37 3820 3234 3738 .78,-284.78 2478\n+00011710: 2c2d 3339 332e 3232 2032 3635 342e 3737 ,-393.22 2654.77\n+00011720: 2c2d 3634 382e 3035 2031 3435 342e 3139 ,-648.05 1454.19\n+00011730: 2c2d 3830 352e 3534 2031 3233 322c 2d31 ,-805.54 1232,-1\n+00011740: 3032 312e 3932 2031 3138 332e 3137 2c2d 021.92 1183.17,-\n+00011750: 3130 3639 2e34 3720 3131 3637 2e32 352c 1069.47 1167.25,\n+00011760: 2d31 3132 372e 3935 2031 3231 372c 2d31 -1127.95 1217,-1\n+00011770: 3137 342e 3533 2031 3234 312e 3732 2c2d 174.53 1241.72,-\n+00011780: 3131 3937 2e36 3820 3133 3336 2e38 312c 1197.68 1336.81,\n+00011790: 2d31 3231 322e 3338 2031 3338 392e 382c -1212.38 1389.8,\n+000117a0: 2d31 3231 382e 3936 222f 3e0a 3c70 6f6c -1218.96\"/>.<pol\n+000117b0: 7967 6f6e 2066 696c 6c3d 2223 3263 6363 ygon fill=\"#2ccc\n+000117c0: 3238 2220 7374 726f 6b65 3d22 2332 6363 28\" stroke=\"#2cc\n+000117d0: 6332 3822 2070 6f69 6e74 733d 2231 3338 c28\" points=\"138\n+000117e0: 392e 3435 2c2d 3132 3232 2e34 3420 3133 9.45,-1222.44 13\n+000117f0: 3939 2e38 2c2d 3132 3230 2e31 3620 3133 99.8,-1220.16 13\n+00011800: 3930 2e32 392c 2d31 3231 352e 3439 2031 90.29,-1215.49 1\n+00011810: 3338 392e 3435 2c2d 3132 3232 2e34 3422 389.45,-1222.44\"\n+00011820: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00011830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011840: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00011850: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00011860: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00011870: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00011880: 3834 2220 636c 6173 733d 2265 6467 6522 84\" class=\"edge\"\n+00011890: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000118a0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+000118b0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+000118c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000118d0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+000118e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000118f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00011900: 6564 2220 643d 224d 3939 322e 362c 2d32 ed\" d=\"M992.6,-2\n+00011910: 3331 2e37 3843 3939 302e 3935 2c2d 3239 31.78C990.95,-29\n+00011920: 312e 3033 2039 3836 2e31 322c 2d35 3339 1.03 986.12,-539\n+00011930: 2e38 3820 3130 3139 2c2d 3630 382e 3720 .88 1019,-608.7 \n+00011940: 3130 3332 2e39 362c 2d36 3337 2e39 3120 1032.96,-637.91 \n+00011950: 3131 3033 2e30 322c 2d36 3834 2e37 3720 1103.02,-684.77 \n+00011960: 3131 3236 2c2d 3730 372e 3537 2031 3135 1126,-707.57 115\n+00011970: 332e 322c 2d37 3334 2e35 3620 3131 3539 3.2,-734.56 1159\n+00011980: 2e37 392c 2d37 3431 2e35 3820 3131 3835 .79,-741.58 1185\n+00011990: 2c2d 3737 302e 3434 2031 3234 322e 3439 ,-770.44 1242.49\n+000119a0: 2c2d 3833 362e 3236 2031 3234 312e 3136 ,-836.26 1241.16\n+000119b0: 2c2d 3836 372e 3935 2031 3330 392c 2d39 ,-867.95 1309,-9\n+000119c0: 3233 2e30 3520 3133 3236 2e39 362c 2d39 23.05 1326.96,-9\n+000119d0: 3337 2e36 3420 3133 3530 2e30 322c 2d39 37.64 1350.02,-9\n+000119e0: 3439 2e36 2031 3336 382e 382c 2d39 3537 49.6 1368.8,-957\n+000119f0: 2e39 3922 2f3e 0a3c 706f 6c79 676f 6e20 .99\"/>.<polygon \n+00011a00: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n+00011a10: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n+00011a20: 3133 3637 2e36 322c 2d39 3631 2e32 3920 1367.62,-961.29 \n+00011a30: 3133 3738 2e31 392c 2d39 3632 2e30 3420 1378.19,-962.04 \n+00011a40: 3133 3730 2e34 2c2d 3935 342e 3836 2031 1370.4,-954.86 1\n+00011a50: 3336 372e 3632 2c2d 3936 312e 3239 222f 367.62,-961.29\"/\n+00011a60: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00011a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00011a80: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+00011a90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011aa0: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+00011ab0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00011ac0: 3836 2220 636c 6173 733d 2265 6467 6522 86\" class=\"edge\"\n+00011ad0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00011ae0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00011af0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00011b00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00011b10: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology</t\n+00011b20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00011b30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00011b40: 2362 6662 6662 6622 2064 3d22 4d39 3435 #bfbfbf\" d=\"M945\n+00011b50: 2e38 2c2d 3232 332e 3136 4338 3939 2e32 .8,-223.16C899.2\n+00011b60: 382c 2d32 3238 2e35 3920 3832 372e 3037 8,-228.59 827.07\n+00011b70: 2c2d 3234 302e 3832 2037 3730 2c2d 3236 ,-240.82 770,-26\n+00011b80: 372e 3438 2036 3139 2e30 352c 2d33 3337 7.48 619.05,-337\n+00011b90: 2e39 3920 3539 372e 3538 2c2d 3339 302e .99 597.58,-390.\n+00011ba0: 3038 2034 3932 2c2d 3531 382e 3936 2034 08 492,-518.96 4\n+00011bb0: 3730 2e33 392c 2d35 3435 2e33 3420 3435 70.39,-545.34 45\n+00011bc0: 382e 3531 2c2d 3534 392e 3338 2034 3438 8.51,-549.38 448\n+00011bd0: 2c2d 3538 312e 3833 2034 3136 2e30 322c ,-581.83 416.02,\n+00011be0: 2d36 3830 2e35 3620 3430 322e 3831 2c2d -680.56 402.81,-\n+00011bf0: 3935 322e 3239 2034 3431 2c2d 3130 3438 952.29 441,-1048\n+00011c00: 2e37 3920 3434 332e 3634 2c2d 3130 3535 .79 443.64,-1055\n+00011c10: 2e34 3720 3631 312e 3438 2c2d 3132 3334 .47 611.48,-1234\n+00011c20: 2e33 3720 3631 382c 2d31 3233 372e 3420 .37 618,-1237.4 \n+00011c30: 3639 362e 3939 2c2d 3132 3734 2e31 2031 696.99,-1274.1 1\n+00011c40: 3330 392e 392c 2d31 3238 332e 3435 2031 309.9,-1283.45 1\n+00011c50: 3438 362e 3532 2c2d 3132 3835 2e33 3922 486.52,-1285.39\"\n+00011c60: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00011c70: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00011c80: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+00011c90: 7473 3d22 3134 3836 2e35 312c 2d31 3238 ts=\"1486.51,-128\n+00011ca0: 382e 3839 2031 3439 362e 3535 2c2d 3132 8.89 1496.55,-12\n+00011cb0: 3835 2e35 2031 3438 362e 3539 2c2d 3132 85.5 1486.59,-12\n+00011cc0: 3831 2e38 3920 3134 3836 2e35 312c 2d31 81.89 1486.51,-1\n+00011cd0: 3238 382e 3839 222f 3e0a 3c2f 673e 0a3c 288.89\"/>.</g>.<\n+00011ce0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00011cf0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00011d00: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00011d10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011d20: 6c69 6e65 6172 616c 6765 6272 6120 2d2d linearalgebra --\n+00011d30: 3e0a 3c67 2069 643d 2265 6467 6538 3222 >.<g id=\"edge82\"\n+00011d40: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00011d50: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00011d60: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00011d70: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00011d80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011d90: 735f 6c69 6e65 6172 616c 6765 6272 613c s_linearalgebra<\n+00011da0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00011db0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00011dc0: 3d22 2362 6662 6662 6622 2064 3d22 4d39 =\"#bfbfbf\" d=\"M9\n+00011dd0: 3533 2e37 2c2d 3232 362e 3643 3838 312e 53.7,-226.6C881.\n+00011de0: 3732 2c2d 3234 322e 3736 2037 3330 2e31 72,-242.76 730.1\n+00011df0: 352c 2d32 3838 2e31 3520 3636 352c 2d33 5,-288.15 665,-3\n+00011e00: 3933 2e32 3220 3539 352e 3533 2c2d 3530 93.22 595.53,-50\n+00011e10: 352e 3235 2035 3634 2e32 382c 2d38 3738 5.25 564.28,-878\n+00011e20: 2e37 3320 3634 312c 2d39 3835 2e39 3220 .73 641,-985.92 \n+00011e30: 3637 352e 3832 2c2d 3130 3334 2e35 3620 675.82,-1034.56 \n+00011e40: 3730 322e 3634 2c2d 3130 3331 2e38 3220 702.64,-1031.82 \n+00011e50: 3736 302c 2d31 3034 382e 3739 2039 3835 760,-1048.79 985\n+00011e60: 2e38 392c 2d31 3131 352e 3635 2031 3732 .89,-1115.65 172\n+00011e70: 352e 3734 2c2d 3131 3439 2e33 3120 3139 5.74,-1149.31 19\n+00011e80: 3431 2e34 362c 2d31 3135 372e 3837 222f 41.46,-1157.87\"/\n+00011e90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00011ea0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00011eb0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+00011ec0: 733d 2231 3934 312e 352c 2d31 3136 312e s=\"1941.5,-1161.\n+00011ed0: 3337 2031 3935 312e 3633 2c2d 3131 3538 37 1951.63,-1158\n+00011ee0: 2e32 3720 3139 3431 2e37 382c 2d31 3135 .27 1941.78,-115\n+00011ef0: 342e 3338 2031 3934 312e 352c 2d31 3136 4.38 1941.5,-116\n+00011f00: 312e 3337 222f 3e0a 3c2f 673e 0a3c 212d 1.37\"/>.</g>.<!-\n+00011f10: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00011f20: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00011f30: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00011f40: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00011f50: 6c69 6220 2d2d 3e0a 3c67 2069 643d 2265 lib -->.<g id=\"e\n+00011f60: 6467 6538 3922 2063 6c61 7373 3d22 6564 dge89\" class=\"ed\n+00011f70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00011f80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00011f90: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+00011fa0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011fb0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+00011fc0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00011fd0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00011fe0: 2362 6662 6662 6622 2064 3d22 4d31 3030 #bfbfbf\" d=\"M100\n+00011ff0: 322e 3338 2c2d 3233 312e 3532 4331 3033 2.38,-231.52C103\n+00012000: 312e 3433 2c2d 3237 392e 3137 2031 3131 1.43,-279.17 111\n+00012010: 362e 3833 2c2d 3434 382e 3731 2031 3136 6.83,-448.71 116\n+00012020: 352c 2d34 3832 2e39 3620 3132 3132 2e35 5,-482.96 1212.5\n+00012030: 332c 2d35 3136 2e37 3620 3132 3830 2e34 3,-516.76 1280.4\n+00012040: 2c2d 3532 372e 3234 2031 3332 322e 3635 ,-527.24 1322.65\n+00012050: 2c2d 3533 302e 3334 222f 3e0a 3c70 6f6c ,-530.34\"/>.<pol\n+00012060: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00012070: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00012080: 6662 6622 2070 6f69 6e74 733d 2231 3332 fbf\" points=\"132\n+00012090: 322e 3631 2c2d 3533 332e 3835 2031 3333 2.61,-533.85 133\n+000120a0: 322e 3831 2c2d 3533 302e 3938 2031 3332 2.81,-530.98 132\n+000120b0: 332e 3035 2c2d 3532 362e 3836 2031 3332 3.05,-526.86 132\n+000120c0: 322e 3631 2c2d 3533 332e 3835 222f 3e0a 2.61,-533.85\"/>.\n+000120d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000120e0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+000120f0: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n+00012100: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00012110: 6f6d 6163 735f 7062 6375 7469 6c20 2d2d omacs_pbcutil --\n+00012120: 3e0a 3c67 2069 643d 2265 6467 6538 3522 >.<g id=\"edge85\"\n+00012130: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00012140: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00012150: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00012160: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00012170: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012180: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n+00012190: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000121a0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+000121b0: 6662 6622 2064 3d22 4d31 3032 372e 3434 fbf\" d=\"M1027.44\n+000121c0: 2c2d 3230 382e 3038 4331 3038 332e 3536 ,-208.08C1083.56\n+000121d0: 2c2d 3139 332e 3536 2031 3139 382e 3238 ,-193.56 1198.28\n+000121e0: 2c2d 3136 342e 3236 2031 3239 362c 2d31 ,-164.26 1296,-1\n+000121f0: 3431 2e37 3420 3133 3632 2e37 372c 2d31 41.74 1362.77,-1\n+00012200: 3236 2e33 3620 3134 3430 2e39 352c 2d31 26.36 1440.95,-1\n+00012210: 3130 2e31 3420 3134 3836 2e32 342c 2d31 10.14 1486.24,-1\n+00012220: 3030 2e39 3122 2f3e 0a3c 706f 6c79 676f 00.91\"/>.<polygo\n+00012230: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00012240: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00012250: 2220 706f 696e 7473 3d22 3134 3837 2e31 \" points=\"1487.1\n+00012260: 2c2d 3130 342e 3331 2031 3439 362e 3231 ,-104.31 1496.21\n+00012270: 2c2d 3938 2e38 3920 3134 3835 2e37 312c ,-98.89 1485.71,\n+00012280: 2d39 372e 3435 2031 3438 372e 312c 2d31 -97.45 1487.1,-1\n+00012290: 3034 2e33 3122 2f3e 0a3c 2f67 3e0a 3c21 04.31\"/>.</g>.<!\n+000122a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000122b0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+000122c0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000122d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000122e0: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d mxlib -->.<g id=\n+000122f0: 2265 6467 6538 3122 2063 6c61 7373 3d22 \"edge81\" class=\"\n+00012300: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00012310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012320: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00012330: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012340: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00012350: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000123f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00012400: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00012410: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00012420: 3232 3638 2e34 322c 2d31 3631 2e31 3120 2268.42,-161.11 \n+00012430: 3232 3738 2e33 2c2d 3135 372e 3237 2032 2278.3,-157.27 2\n+00012440: 3236 382e 3138 2c2d 3135 342e 3131 2032 268.18,-154.11 2\n+00012450: 3236 382e 3432 2c2d 3136 312e 3131 222f 268.42,-161.11\"/\n+00012460: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....m\n+00012690: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000126a0: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables\n+000126b0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3330 ...t\n+000127c0: 6162 6c65 733c 2f74 6578 743e 0a3c 2f61 ables......modu\n+00012850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00012860: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+00012870: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012880: 6772 6f6d 6163 735f 7461 626c 6573 3c2f gromacs_tables</\n+00012890: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000128a0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000128b0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+000128c0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+000128d0: 2064 3d22 4d39 3731 2e38 322c 2d32 3035 d=\"M971.82,-205\n+000128e0: 2e37 3443 3935 332e 3337 2c2d 3139 352e .74C953.37,-195.\n+000128f0: 3838 2039 3236 2e34 392c 2d31 3831 2e35 88 926.49,-181.5\n+00012900: 3320 3930 362e 342c 2d31 3730 2e38 222f 3 906.4,-170.8\"/\n+00012910: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00012920: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00012930: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00012940: 733d 2239 3037 2e38 392c 2d31 3637 2e36 s=\"907.89,-167.6\n+00012950: 3420 3839 372e 3432 2c2d 3136 362e 3031 4 897.42,-166.01\n+00012960: 2039 3034 2e36 2c2d 3137 332e 3831 2039 904.6,-173.81 9\n+00012970: 3037 2e38 392c 2d31 3637 2e36 3422 2f3e 07.89,-167.64\"/>\n+00012980: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00012990: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+000129a0: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+000129b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000129c0: 726f 6d61 6373 5f75 7469 6c69 7479 202d romacs_utility -\n+000129d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3837 ->.<g id=\"edge87\n+000129e0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000129f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00012a00: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+00012a10: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+00012a20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012a30: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n+00012a40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00012a50: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00012a60: 3266 6363 2220 643d 224d 3936 362e 3237 2fcc\" d=\"M966.27\n+00012a70: 2c2d 3232 392e 3531 4339 3436 2e35 322c ,-229.51C946.52,\n+00012a80: 2d32 3338 2039 3139 2e36 2c2d 3235 312e -238 919.6,-251.\n+00012a90: 3231 2038 3939 2c2d 3236 372e 3438 2038 21 899,-267.48 8\n+00012aa0: 3435 2e34 372c 2d33 3039 2e37 3620 3832 45.47,-309.76 82\n+00012ab0: 392e 3331 2c2d 3332 372e 3531 2038 3131 9.31,-327.51 811\n+00012ac0: 2c2d 3339 332e 3232 2037 3931 2e35 312c ,-393.22 791.51,\n+00012ad0: 2d34 3633 2e31 3820 3830 362c 2d36 3437 -463.18 806,-647\n+00012ae0: 2e33 3820 3830 362c 2d37 3230 2e30 3120 .38 806,-720.01 \n+00012af0: 3830 362c 2d37 3834 2e38 3820 3830 362c 806,-784.88 806,\n+00012b00: 2d37 3834 2e38 3820 3830 362c 2d37 3834 -784.88 806,-784\n+00012b10: 2e38 3820 3830 362c 2d38 3839 2e37 3120 .88 806,-889.71 \n+00012b20: 3933 312e 3738 2c2d 3130 3133 2e35 3620 931.78,-1013.56 \n+00012b30: 3130 3031 2c2d 3130 3438 2e37 3920 3130 1001,-1048.79 10\n+00012b40: 3637 2e35 312c 2d31 3038 322e 3635 2031 67.51,-1082.65 1\n+00012b50: 3539 352e 3332 2c2d 3130 3934 2e30 3720 595.32,-1094.07 \n+00012b60: 3137 3433 2e34 362c 2d31 3039 362e 3632 1743.46,-1096.62\n+00012b70: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00012b80: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00012b90: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00012ba0: 6e74 733d 2231 3734 332e 382c 2d31 3130 nts=\"1743.8,-110\n+00012bb0: 302e 3133 2031 3735 332e 3835 2c2d 3130 0.13 1753.85,-10\n+00012bc0: 3936 2e38 2031 3734 332e 3931 2c2d 3130 96.8 1743.91,-10\n+00012bd0: 3933 2e31 3320 3137 3433 2e38 2c2d 3131 93.13 1743.8,-11\n+00012be0: 3030 2e31 3322 2f3e 0a3c 2f67 3e0a 3c21 00.13\"/>.</g>.<!\n+00012bf0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00012c00: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00012c10: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00012c20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00012c30: 696d 696e 6720 2d2d 3e0a 3c67 2069 643d iming -->.<g id=\n+00012c40: 2265 6467 6539 3022 2063 6c61 7373 3d22 \"edge90\" class=\"\n+00012c50: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00012c60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012c70: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00012c80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012c90: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n+00012ca0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00012db0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+00012e30: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00012e40: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00012e50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00012e60: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00012e70: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity..\n+00012fb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 \n+00013020: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+00013070: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n+00013080: 6d64 3c2f 7469 746c 653e 0a3c 6720 6964 md...simd......modul\n+00013220: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00013230: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n+00013240: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013250: 726f 6d61 6373 5f73 696d 643c 2f74 6974 romacs_simd</tit\n+00013260: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00013270: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00013280: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00013290: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000132a0: 224d 3130 3032 2e37 382c 2d32 3034 2e38 \"M1002.78,-204.8\n+000132b0: 4331 3032 372e 3934 2c2d 3137 332e 3239 C1027.94,-173.29\n+000132c0: 2031 3039 352e 3131 2c2d 3839 2e31 3620 1095.11,-89.16 \n+000132d0: 3131 3236 2e30 322c 2d35 302e 3434 222f 1126.02,-50.44\"/\n+000132e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000132f0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00013300: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00013310: 733d 2231 3132 382e 3838 2c2d 3532 2e34 s=\"1128.88,-52.4\n+00013320: 3820 3131 3332 2e33 382c 2d34 322e 3438 8 1132.38,-42.48\n+00013330: 2031 3132 332e 3431 2c2d 3438 2e31 3120 1123.41,-48.11 \n+00013340: 3131 3238 2e38 382c 2d35 322e 3438 222f 1128.88,-52.48\"/\n+00013350: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00013360: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00013370: 6f70 6f6c 6f67 7926 2334 353b 2667 743b opology->\n+00013380: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00013390: 6373 5f6d 6174 6820 2d2d 3e0a 3c67 2069 cs_math -->.<g i\n+000133a0: 643d 2265 6467 6539 3522 2063 6c61 7373 d=\"edge95\" class\n+000133b0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000133c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000133d0: 6373 5f74 6f70 6f6c 6f67 7926 2334 353b cs_topology-\n+000133e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000133f0: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math</tit\n+00013400: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00013410: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00013420: 6662 6662 6622 2064 3d22 4d31 3531 342e fbfbf\" d=\"M1514.\n+00013430: 3934 2c2d 3132 3735 2e30 3943 3134 3937 94,-1275.09C1497\n+00013440: 2e34 352c 2d31 3236 352e 3234 2031 3437 .45,-1265.24 147\n+00013450: 312e 342c 2d31 3235 302e 3536 2031 3435 1.4,-1250.56 145\n+00013460: 322e 3031 2c2d 3132 3339 2e36 3322 2f3e 2.01,-1239.63\"/>\n+00013470: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00013480: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00013490: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+000134a0: 3d22 3134 3533 2e35 322c 2d31 3233 362e =\"1453.52,-1236.\n+000134b0: 3436 2031 3434 332e 3039 2c2d 3132 3334 46 1443.09,-1234\n+000134c0: 2e36 2031 3435 302e 3038 2c2d 3132 3432 .6 1450.08,-1242\n+000134d0: 2e35 3620 3134 3533 2e35 322c 2d31 3233 .56 1453.52,-123\n+000134e0: 362e 3436 222f 3e0a 3c2f 673e 0a3c 212d 6.46\"/>.</g>.<!-\n+000134f0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00013500: 6d61 6373 5f74 6f70 6f6c 6f67 7926 2334 macs_topology\n+00013510: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00013520: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00013530: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00013540: 3936 2220 636c 6173 733d 2265 6467 6522 96\" class=\"edge\"\n+00013550: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00013560: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+00013570: 6c6f 6779 2623 3435 3b26 6774 3b6d 6f64 logy->mod\n+00013580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013590: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+000135a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+00013650: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n+00013710: 0a3c 6720 6964 3d22 6564 6765 3934 2220 ..module_src_\n+00013740: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n+00013750: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00013760: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+00013770: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity......module_\n+00013910: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+00013920: 633c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 c..\n+00013980: 3c74 6578 7420 7465 7874 2d61 6e63 686f mimic..\n+00013a30: 0a3c 6720 6964 3d22 6564 6765 3937 2220 ..module_src_\n+00013a60: 6772 6f6d 6163 735f 6d69 6d69 6326 2334 gromacs_mimic\n+00013a70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00013a80: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00013a90: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......m\n+00013c70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013c80: 735f 6d69 6d69 6326 2334 353b 2667 743b s_mimic->\n+00013c90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00013ca0: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00013cb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00013d30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00013df0: 6720 6964 3d22 6564 6765 3939 2220 636c g id=\"edge99\" cl\n+00013e00: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00013e20: 6f6d 6163 735f 6d69 6d69 6326 2334 353b omacs_mimic-\n+00013e30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013e40: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility..\n+00013f30: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ....modul\n+00014020: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+00014030: 6e65 6172 616c 6765 6272 6126 2334 353b nearalgebra-\n+00014040: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00014050: 726f 6d61 6373 5f75 7469 6c69 7479 3c2f romacs_utility</\n+00014060: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00014070: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00014080: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+00014090: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000140a0: 3d22 4d31 3936 372e 3334 2c2d 3131 3531 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6,-1105.61\"/>.</\n+00014190: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000141a0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+000141b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000141c0: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+000141d0: 7574 696c 7320 2d2d 3e0a 3c67 2069 643d utils -->.<g id=\n+000141e0: 2265 6467 6531 3031 2220 636c 6173 733d \"edge101\" class=\n+000141f0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00014200: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014210: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00014220: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014230: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n+00014240: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00014250: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00014260: 6564 2220 643d 224d 3133 3532 2e31 332c ed\" d=\"M1352.13,\n+00014270: 2d35 3435 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dule_src_gromacs\n+00014360: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00014370: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014380: 735f 636f 6d70 6174 202d 2d3e 0a3c 6720 s_compat -->.<g \n+00014390: 6964 3d22 6564 6765 3131 3622 2063 6c61 id=\"edge116\" cla\n+000143a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000143b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000143c0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+000143d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000143e0: 6f6d 6163 735f 636f 6d70 6174 3c2f 7469 omacs_compat</ti\n+000143f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00014400: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00014410: 3238 3266 6363 2220 643d 224d 3133 3837 282fcc\" d=\"M1387\n+00014420: 2e35 2c2d 3532 372e 3633 4331 3433 322e .5,-527.63C1432.\n+00014430: 3431 2c2d 3532 302e 3920 3135 3236 2e30 41,-520.9 1526.0\n+00014440: 382c 2d35 3035 2e34 2031 3630 332c 2d34 8,-505.4 1603,-4\n+00014450: 3832 2e39 3620 3137 3236 2e35 392c 2d34 82.96 1726.59,-4\n+00014460: 3436 2e39 2031 3836 372e 3532 2c2d 3338 46.9 1867.52,-38\n+00014470: 362e 3034 2031 3932 382e 3338 2c2d 3335 6.04 1928.38,-35\n+00014480: 382e 3735 222f 3e0a 3c70 6f6c 7967 6f6e 8.75\"/>.<polygon\n+00014490: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+000144a0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+000144b0: 2070 6f69 6e74 733d 2231 3933 302e 312c points=\"1930.1,\n+000144c0: 2d33 3631 2e38 3220 3139 3337 2e37 382c -361.82 1937.78,\n+000144d0: 2d33 3534 2e35 3220 3139 3237 2e32 322c -354.52 1927.22,\n+000144e0: 2d33 3535 2e34 3420 3139 3330 2e31 2c2d -355.44 1930.1,-\n+000144f0: 3336 312e 3832 222f 3e0a 3c2f 673e 0a3c 361.82\"/>.</g>.<\n+00014500: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014510: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00014520: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014530: 6772 6f6d 6163 735f 6d61 7468 202d 2d3e gromacs_math -->\n+00014540: 0a3c 6720 6964 3d22 6564 6765 3130 3722 .<g id=\"edge107\"\n+00014550: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00014560: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014570: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00014580: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00014590: 635f 6772 6f6d 6163 735f 6d61 7468 3c2f c_gromacs_math</\n+000145a0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000145b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000145c0: 2223 6266 6266 6266 2220 643d 224d 3133 \"#bfbfbf\" d=\"M13\n+000145d0: 3439 2e33 372c 2d35 3434 2e37 3743 3133 49.37,-544.77C13\n+000145e0: 3430 2e34 392c 2d35 3534 2e30 3320 3133 40.49,-554.03 13\n+000145f0: 3238 2e35 342c 2d35 3637 2e38 3120 3133 28.54,-567.81 13\n+00014600: 3231 2c2d 3538 312e 3833 2031 3237 382e 21,-581.83 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2031 3338 392e 3037 2c2d 3132 5.96 1389.07,-12\n+00014700: 3232 2e39 222f 3e0a 3c2f 673e 0a3c 212d 22.9\"/>.</g>.<!-\n+00014710: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00014720: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00014730: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00014740: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes --\n+00014750: 3e0a 3c67 2069 643d 2265 6467 6531 3038 >.<g id=\"edge108\n+00014760: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00014770: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00014780: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00014790: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000147a0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+000147b0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es..\n+00014900: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....module_src_gro\n+000149f0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00014a00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00014a10: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+00014a20: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n+00014a30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00014b50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n+00014ba0: 0a3c 6720 6964 3d22 6564 6765 3130 3622 ..<\n+00014bc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014bd0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00014be0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00014bf0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+00014c00: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a _forces.\n+00014c10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+00014da0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014db0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00014dc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014dd0: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology</titl\n+00014de0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00014df0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00014e00: 6266 6266 2220 643d 224d 3133 3435 2e32 bfbf\" d=\"M1345.2\n+00014e10: 322c 2d35 3433 2e37 3343 3133 3332 2e36 2,-543.73C1332.6\n+00014e20: 382c 2d35 3532 2e36 2031 3331 352e 3432 8,-552.6 1315.42\n+00014e30: 2c2d 3536 362e 3337 2031 3330 342c 2d35 ,-566.37 1304,-5\n+00014e40: 3831 2e38 3320 3132 3835 2e39 342c 2d36 81.83 1285.94,-6\n+00014e50: 3036 2e32 3920 3132 3838 2e32 332c 2d36 06.29 1288.23,-6\n+00014e60: 3136 2e34 3420 3132 3737 2c2d 3634 342e 16.44 1277,-644.\n+00014e70: 3720 3132 3230 2e31 352c 2d37 3837 2e37 7 1220.15,-787.7\n+00014e80: 3920 3131 3632 2c2d 3831 372e 3532 2031 9 1162,-817.52 1\n+00014e90: 3136 322c 2d39 3731 2e34 3920 3131 3632 162,-971.49 1162\n+00014ea0: 2c2d 3130 3939 2e32 3320 3131 3632 2c2d ,-1099.23 1162,-\n+00014eb0: 3130 3939 2e32 3320 3131 3632 2c2d 3130 1099.23 1162,-10\n+00014ec0: 3939 2e32 3320 3131 3632 2c2d 3131 3430 99.23 1162,-1140\n+00014ed0: 2e36 3720 3131 3835 2e31 372c 2d31 3134 .67 1185.17,-114\n+00014ee0: 372e 3938 2031 3231 372c 2d31 3137 342e 7.98 1217,-1174.\n+00014ef0: 3533 2031 3239 372e 3939 2c2d 3132 3432 53 1297.99,-1242\n+00014f00: 2e30 3920 3134 3232 2e37 332c 2d31 3236 .09 1422.73,-126\n+00014f10: 392e 3734 2031 3438 392c 2d31 3238 302e 9.74 1489,-1280.\n+00014f20: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066 16\"/>.<polygon f\n+00014f30: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00014f40: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00014f50: 6f69 6e74 733d 2231 3438 382e 3731 2c2d oints=\"1488.71,-\n+00014f60: 3132 3833 2e36 3520 3134 3939 2e31 322c 1283.65 1499.12,\n+00014f70: 2d31 3238 312e 3638 2031 3438 392e 3735 -1281.68 1489.75\n+00014f80: 2c2d 3132 3736 2e37 3320 3134 3838 2e37 ,-1276.73 1488.7\n+00014f90: 312c 2d31 3238 332e 3635 222f 3e0a 3c2f 1,-1283.65\"/>.</\n+00014fa0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00014fb0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00014fc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014fd0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n+00014fe0: 7469 6c20 2d2d 3e0a 3c67 2069 643d 2265 til -->.<g id=\"e\n+00014ff0: 6467 6531 3032 2220 636c 6173 733d 2265 dge102\" class=\"e\n+00015000: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00015010: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015020: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n+00015030: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015040: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+00015050: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00015110: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+000151d0: 6720 6964 3d22 6564 6765 3132 3422 2063 g id=\"edge124\" c\n+000151e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00015200: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00015210: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015220: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00015230: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+000152d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+000153b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000153c0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+000153d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000153e0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+000153f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00015400: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00015410: 6266 6266 2220 643d 224d 3133 3830 2e35 bfbf\" d=\"M1380.5\n+00015420: 322c 2d35 3432 2e32 3543 3133 3939 2e34 2,-542.25C1399.4\n+00015430: 352c 2d35 3531 2e31 3920 3134 3238 2e36 5,-551.19 1428.6\n+00015440: 332c 2d35 3635 2e39 3120 3134 3532 2c2d 3,-565.91 1452,-\n+00015450: 3538 312e 3833 2031 3530 322e 3733 2c2d 581.83 1502.73,-\n+00015460: 3631 362e 3420 3135 3036 2e39 372c 2d36 616.4 1506.97,-6\n+00015470: 3335 2e39 3920 3135 3537 2c2d 3637 312e 35.99 1557,-671.\n+00015480: 3537 2031 3634 372e 3231 2c2d 3733 352e 57 1647.21,-735.\n+00015490: 3733 2031 3636 372e 3833 2c2d 3735 392e 73 1667.83,-759.\n+000154a0: 3836 2031 3737 322c 2d37 3937 2e33 3120 86 1772,-797.31 \n+000154b0: 3138 3632 2e33 312c 2d38 3239 2e37 3820 1862.31,-829.78 \n+000154c0: 3139 3735 2e38 382c 2d38 3430 2e35 3820 1975.88,-840.58 \n+000154d0: 3230 3333 2e32 342c 2d38 3434 2e31 222f 2033.24,-844.1\"/\n+000154e0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000154f0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00015500: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+00015510: 733d 2232 3033 332e 3039 2c2d 3834 372e s=\"2033.09,-847.\n+00015520: 3620 3230 3433 2e32 382c 2d38 3434 2e36 6 2043.28,-844.6\n+00015530: 3820 3230 3333 2e34 392c 2d38 3430 2e36 8 2033.49,-840.6\n+00015540: 3120 3230 3333 2e30 392c 2d38 3437 2e36 1 2033.09,-847.6\n+00015550: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00015560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015570: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00015580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015590: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n+000155a0: 6964 3d22 6564 6765 3130 3522 2063 6c61 id=\"edge105\" cla\n+000155b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000155c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000155d0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+000155e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000155f0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n+00015600: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00015610: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00015620: 6266 6266 6266 2220 643d 224d 3133 3531 bfbfbf\" d=\"M1351\n+00015630: 2e30 362c 2d35 3139 2e35 3743 3133 3336 .06,-519.57C1336\n+00015640: 2e34 312c 2d34 3933 2e37 3120 3133 3136 .41,-493.71 1316\n+00015650: 2e32 312c 2d34 3331 2e33 3820 3133 3435 .21,-431.38 1345\n+00015660: 2c2d 3339 332e 3232 2031 3335 362e 352c ,-393.22 1356.5,\n+00015670: 2d33 3737 2e39 3820 3139 3837 2e33 372c -377.98 1987.37,\n+00015680: 2d32 3038 2e37 3820 3230 3036 2c2d 3230 -208.78 2006,-20\n+00015690: 342e 3631 2032 3039 392e 3137 2c2d 3138 4.61 2099.17,-18\n+000156a0: 332e 3734 2032 3231 302e 3736 2c2d 3136 3.74 2210.76,-16\n+000156b0: 372e 3836 2032 3236 392e 3533 2c2d 3136 7.86 2269.53,-16\n+000156c0: 302e 3537 222f 3e0a 3c70 6f6c 7967 6f6e 0.57\"/>.<polygon\n+000156d0: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+000156e0: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+000156f0: 2070 6f69 6e74 733d 2232 3237 302e 3033 points=\"2270.03\n+00015700: 2c2d 3136 342e 3033 2032 3237 392e 3533 ,-164.03 2279.53\n+00015710: 2c2d 3135 392e 3335 2032 3236 392e 3138 ,-159.35 2269.18\n+00015720: 2c2d 3135 372e 3038 2032 3237 302e 3033 ,-157.08 2270.03\n+00015730: 2c2d 3136 342e 3033 222f 3e0a 3c2f 673e ,-164.03\"/>.</g>\n+00015740: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00015750: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n+00015760: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3232 ->.<g id=\"node22\n+00015770: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n+00015780: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00015790: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c c_gromacs_nbnxm<\n+000157a0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+000157b0: 5f6e 6f64 6532 3222 3e3c 6120 786c 696e _node22\"><a xlin\n+000157c0: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+000157d0: 6f64 756c 655f 5f6e 626e 786d 2e78 6874 odule__nbnxm.xht\n+000157e0: 6d6c 2220 7461 7267 6574 3d22 5f74 6f70 ml\" target=\"_top\n+000157f0: 2220 786c 696e 6b3a 7469 746c 653d 226e \" xlink:title=\"n\n+00015800: 626e 786d 223e 0a3c 656c 6c69 7073 6520 bnxm\">.<ellipse \n+00015810: 6669 6c6c 3d22 2365 3563 6366 6622 2073 fill=\"#e5ccff\" s\n+00015820: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+00015830: 3d22 3132 3231 2220 6379 3d22 2d32 3830 =\"1221\" cy=\"-280\n+00015840: 2e39 3222 2072 783d 2233 322e 3535 2220 .92\" rx=\"32.55\" \n+00015850: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+00015860: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+00015870: 6d69 6464 6c65 2220 783d 2231 3232 3122 middle\" x=\"1221\"\n+00015880: 2079 3d22 2d32 3738 2e34 3222 2066 6f6e y=\"-278.42\" fon\n+00015890: 742d 6661 6d69 6c79 3d22 4672 6565 5361 t-family=\"FreeSa\n+000158a0: 6e73 2220 666f 6e74 2d73 697a 653d 2231 ns\" font-size=\"1\n+000158b0: 302e 3030 223e 6e62 6e78 6d3c 2f74 6578 0.00\">nbnxm</tex\n+000158c0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+000158d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000158e0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+000158f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00015900: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+00015910: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00015920: 3131 3722 2063 6c61 7373 3d22 6564 6765 117\" class=\"edge\n+00015930: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00015940: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00015950: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00015960: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00015970: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm....\n+00015ac0: 0a3c 6720 6964 3d22 6564 6765 3130 3922 ..<\n+00015ae0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00015af0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00015b00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015b10: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+00015b20: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g....\n+00015c50: 0a3c 6720 6964 3d22 6564 6765 3130 3422 ..<\n+00015c70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00015c80: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00015c90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015ca0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+00015cb0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+00015e10: 3c67 2069 643d 2265 6467 6531 3138 2220 .module_src_\n+00015e40: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00015e50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00015e60: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+00015e70: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line......\n+000160e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000160f0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00016100: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00016110: 6163 735f 7461 626c 6573 3c2f 7469 746c acs_tables</titl\n+00016120: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00016130: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00016140: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00016150: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00016160: 4d31 3333 332e 3631 2c2d 3532 382e 3638 M1333.61,-528.68\n+00016170: 4331 3330 302e 3936 2c2d 3532 342e 3139 C1300.96,-524.19\n+00016180: 2031 3234 362e 3238 2c2d 3531 322e 3533 1246.28,-512.53\n+00016190: 2031 3231 302c 2d34 3832 2e39 3620 3130 1210,-482.96 10\n+000161a0: 3939 2e39 2c2d 3339 332e 3233 2031 3136 99.9,-393.23 116\n+000161b0: 342e 3832 2c2d 3239 322e 3138 2031 3035 4.82,-292.18 105\n+000161c0: 332c 2d32 3034 2e36 3120 3130 3134 2e31 3,-204.61 1014.1\n+000161d0: 392c 2d31 3734 2e32 3120 3935 372e 3432 9,-174.21 957.42\n+000161e0: 2c2d 3136 322e 3839 2039 3139 2e33 392c ,-162.89 919.39,\n+000161f0: 2d31 3538 2e36 3722 2f3e 0a3c 706f 6c79 -158.67\"/>.<poly\n+00016200: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00016210: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00016220: 6363 2220 706f 696e 7473 3d22 3931 392e cc\" points=\"919.\n+00016230: 3439 2c2d 3135 352e 3136 2039 3039 2e31 49,-155.16 909.1\n+00016240: 392c 2d31 3537 2e36 3620 3931 382e 382c 9,-157.66 918.8,\n+00016250: 2d31 3632 2e31 3320 3931 392e 3439 2c2d -162.13 919.49,-\n+00016260: 3135 352e 3136 222f 3e0a 3c2f 673e 0a3c 155.16\"/>.</g>.<\n+00016270: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00016280: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00016290: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000162a0: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+000162b0: 3e0a 3c67 2069 643d 2265 6467 6531 3232 >.<g id=\"edge122\n+000162c0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000162d0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000162e0: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+000162f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00016300: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00016310: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+00016440: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+000164b0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000164c0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+000164d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+000164e0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+000164f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016500: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00016510: 2220 643d 224d 3133 3736 2e30 382c 2d35 \" d=\"M1376.08,-5\n+00016520: 3434 2e31 3143 3133 3838 2e31 352c 2d35 44.11C1388.15,-5\n+00016530: 3533 2e32 2031 3430 342e 3939 2c2d 3536 53.2 1404.99,-56\n+00016540: 372e 3038 2031 3431 372c 2d35 3831 2e38 7.08 1417,-581.8\n+00016550: 3320 3134 3235 2e36 342c 2d35 3932 2e34 3 1425.64,-592.4\n+00016560: 3420 3134 3234 2e36 372c 2d35 3937 2e31 4 1424.67,-597.1\n+00016570: 3520 3134 3332 2c2d 3630 382e 3720 3135 5 1432,-608.7 15\n+00016580: 3531 2e35 392c 2d37 3937 2e31 3720 3137 51.59,-797.17 17\n+00016590: 3135 2e37 332c 2d31 3031 312e 3831 2031 15.73,-1011.81 1\n+000165a0: 3736 362e 3434 2c2d 3130 3737 2e32 3622 766.44,-1077.26\"\n+000165b0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />...\n+00016630: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+000166a0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000166b0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+000166c0: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n+000166d0: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing....\n+00016860: 0a3c 6720 6964 3d22 6564 6765 3131 3922 ..<\n+00016880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00016890: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+000168a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000168b0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+000168c0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+000168d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000168e0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000168f0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00016900: 6179 3d22 352c 3222 2064 3d22 4d31 3338 ay=\"5,2\" d=\"M138\n+00016910: 392e 3334 2c2d 3533 322e 3932 4331 3436 9.34,-532.92C146\n+00016920: 332e 3236 2c2d 3533 322e 3339 2031 3636 3.26,-532.39 166\n+00016930: 372e 3432 2c2d 3533 352e 3620 3138 3239 7.42,-535.6 1829\n+00016940: 2c2d 3538 312e 3833 2031 3932 392c 2d36 ,-581.83 1929,-6\n+00016950: 3130 2e34 3420 3230 3336 2e36 362c 2d36 10.44 2036.66,-6\n+00016960: 3732 2e38 3320 3230 3835 2e33 372c 2d37 72.83 2085.37,-7\n+00016970: 3033 222f 3e0a 3c70 6f6c 7967 6f6e 2066 03\"/>....<\n+00016a30: 6720 6964 3d22 6564 6765 3131 3122 2063 g id=\"edge111\" c\n+00016a40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00016a60: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00016a70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016a80: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd...\n+00016c00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+00016fb0: 6720 6964 3d22 6564 6765 3131 3522 2063 g id=\"edge115\" c\n+00016fc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00016fe0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00016ff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00017000: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00017010: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry......mo\n+00017220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017230: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00017240: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00017250: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00017260: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh......module\n+000174b0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+000174c0: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+000174d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000174e0: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+000174f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00017500: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00017510: 6662 6622 2064 3d22 4d31 3535 352e 382c fbf\" d=\"M1555.8,\n+00017520: 2d39 332e 3333 4331 3736 392e 3136 2c2d -93.33C1769.16,-\n+00017530: 3933 2e36 3420 3239 3835 2e37 322c 2d39 93.64 2985.72,-9\n+00017540: 372e 3332 2033 3034 392c 2d31 3431 2e37 7.32 3049,-141.7\n+00017550: 3420 3331 3131 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1643.67,-1003.\n+00017640: 3431 2031 3432 342e 3139 2c2d 3130 3232 41 1424.19,-1022\n+00017650: 2e32 3420 3133 3238 2e39 392c 2d31 3033 .24 1328.99,-103\n+00017660: 302e 3331 222f 3e0a 3c70 6f6c 7967 6f6e 0.31\"/>.<polygon\n+00017670: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00017680: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00017690: 2070 6f69 6e74 733d 2231 3332 382e 3438 points=\"1328.48\n+000176a0: 2c2d 3130 3236 2e38 3420 3133 3138 2e38 ,-1026.84 1318.8\n+000176b0: 322c 2d31 3033 312e 3137 2031 3332 392e 2,-1031.17 1329.\n+000176c0: 3038 2c2d 3130 3333 2e38 3220 3133 3238 08,-1033.82 1328\n+000176d0: 2e34 382c 2d31 3032 362e 3834 222f 3e0a .48,-1026.84\"/>.\n+000176e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000176f0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+00017700: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+00017710: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017720: 6d61 7468 202d 2d3e 0a3c 6720 6964 3d22 math -->.<g id=\"\n+00017730: 6564 6765 3132 3822 2063 6c61 7373 3d22 edge128\" class=\"\n+00017740: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00017750: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00017760: 5f70 6263 7574 696c 2623 3435 3b26 6774 _pbcutil->\n+00017770: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017780: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+00017790: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+000179b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000179c0: 5f70 6263 7574 696c 2623 3435 3b26 6774 _pbcutil->\n+000179d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000179e0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+000179f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00017a00: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00017a10: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" 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;module_src_grom\n+00017bf0: 6163 735f 746f 706f 6c6f 6779 202d 2d3e acs_topology -->\n+00017c00: 0a3c 6720 6964 3d22 6564 6765 3132 3622 .<g id=\"edge126\"\n+00017c10: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00017c20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00017c30: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n+00017c40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00017c50: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+00017c60: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy...<\n+00017e70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n+00017ee0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017ef0: 6373 5f70 6263 7574 696c 2623 3435 3b26 cs_pbcutil-&\n+00017f00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00017f10: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n+00017f20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00017f30: 3d22 6e6f 6e65 2220 7374 726f 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2275,-1\n+00018020: 3034 382e 3739 2032 3130 362e 342c 2d31 048.79 2106.4,-1\n+00018030: 3037 342e 3439 2031 3930 332e 3138 2c2d 074.49 1903.18,-\n+00018040: 3130 3839 2e34 3420 3138 3230 2e31 342c 1089.44 1820.14,\n+00018050: 2d31 3039 342e 3837 222f 3e0a 3c70 6f6c -1094.87\"/>.<pol\n+00018060: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+00018070: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00018080: 6663 6322 2070 6f69 6e74 733d 2231 3831 fcc\" points=\"181\n+00018090: 392e 3638 2c2d 3130 3931 2e33 3920 3138 9.68,-1091.39 18\n+000180a0: 3039 2e39 332c 2d31 3039 352e 3533 2031 09.93,-1095.53 1\n+000180b0: 3832 302e 3133 2c2d 3130 3938 2e33 3820 820.13,-1098.38 \n+000180c0: 3138 3139 2e36 382c 2d31 3039 312e 3339 1819.68,-1091.39\n+000180d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+000180e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000180f0: 5f70 6263 7574 696c 2623 3435 3b26 6774 _pbcutil->\n+00018100: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00018110: 6163 735f 7369 6d64 202d 2d3e 0a3c 6720 acs_simd -->.<g \n+00018120: 6964 3d22 6564 6765 3132 3922 2063 6c61 id=\"edge129\" cla\n+00018130: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00018140: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00018150: 6d61 6373 5f70 6263 7574 696c 2623 3435 macs_pbcutil-\n+00018160: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00018170: 6772 6f6d 6163 735f 7369 6d64 3c2f 7469 gromacs_simd</ti\n+00018180: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00018190: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000181a0: 3238 3266 6363 2220 643d 224d 3134 3934 282fcc\" d=\"M1494\n+000181b0: 2e39 372c 2d38 362e 3638 4331 3432 352e .97,-86.68C1425.\n+000181c0: 3936 2c2d 3735 2e36 3820 3132 3532 2e32 96,-75.68 1252.2\n+000181d0: 372c 2d34 382e 3031 2031 3137 372e 3332 7,-48.01 1177.32\n+000181e0: 2c2d 3336 2e30 3622 2f3e 0a3c 706f 6c79 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756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000182e0: 7062 6375 7469 6c26 2334 353b 2667 743b pbcutil->\n+000182f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018300: 6373 5f74 7261 6a65 6374 6f72 793c 2f74 cs_trajectory</t\n+00018310: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00018320: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00018330: 2362 6662 6662 6622 2064 3d22 4d31 3535 #bfbfbf\" d=\"M155\n+00018340: 352e 392c 2d39 302e 3443 3137 3935 2e36 5.9,-90.4C1795.6\n+00018350: 322c 2d38 332e 3538 2033 3331 332e 3731 2,-83.58 3313.71\n+00018360: 2c2d 3430 2e33 3720 3336 3132 2e31 322c ,-40.37 3612.12,\n+00018370: 2d33 312e 3838 222f 3e0a 3c70 6f6c 7967 -31.88\"/>.<polyg\n+00018380: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00018390: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+000183a0: 6622 2070 6f69 6e74 733d 2233 3631 322e f\" points=\"3612.\n+000183b0: 3332 2c2d 3335 2e33 3820 3336 3232 2e32 32,-35.38 3622.2\n+000183c0: 322c 2d33 312e 3620 3336 3132 2e31 322c 2,-31.6 3612.12,\n+000183d0: 2d32 382e 3338 2033 3631 322e 3332 2c2d -28.38 3612.32,-\n+000183e0: 3335 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 35.38\"/>.</g>.<!\n+000183f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00018400: 6f6d 6163 735f 6861 7264 7761 7265 2623 omacs_hardware&#\n+00018410: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018420: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00018430: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->.<g id=\"e\n+00018440: 6467 6531 3333 2220 636c 6173 733d 2265 dge133\" class=\"e\n+00018450: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00018460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018470: 6861 7264 7761 7265 2623 3435 3b26 6774 hardware->\n+00018480: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00018490: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n+000184a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000184b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000184c0: 2362 6662 6662 6622 2064 3d22 4d31 3133 #bfbfbf\" d=\"M113\n+000184d0: 332e 3634 2c2d 3233 312e 3239 4331 3131 3.64,-231.29C111\n+000184e0: 342e 3938 2c2d 3235 302e 3431 2031 3037 4.98,-250.41 107\n+000184f0: 322e 3734 2c2d 3238 362e 3034 2031 3035 2.74,-286.04 105\n+00018500: 352c 2d32 3934 2e33 3520 3938 352e 3835 5,-294.35 985.85\n+00018510: 2c2d 3332 362e 3735 2039 3437 2e32 342c ,-326.75 947.24,\n+00018520: 2d32 3833 2e34 3220 3838 372c 2d33 3330 -283.42 887,-330\n+00018530: 2e33 3520 3830 392e 3132 2c2d 3339 312e .35 809.12,-391.\n+00018540: 3033 2038 3133 2e36 392c 2d34 3439 2e30 03 813.69,-449.0\n+00018550: 3120 3833 332c 2d35 3435 2e38 3320 3836 1 833,-545.83 86\n+00018560: 352e 3936 2c2d 3731 312e 3134 2038 3939 5.96,-711.14 899\n+00018570: 2e33 352c 2d39 3333 2e39 2039 3635 2c2d .35,-933.9 965,-\n+00018580: 3938 352e 3932 2031 3030 352e 3736 2c2d 985.92 1005.76,-\n+00018590: 3130 3138 2e32 3220 3131 3533 2e33 2c2d 1018.22 1153.3,-\n+000185a0: 3130 3239 2e30 3820 3132 3331 2e36 2c2d 1029.08 1231.6,-\n+000185b0: 3130 3332 2e36 3622 2f3e 0a3c 706f 6c79 1032.66\"/>.<poly\n+000185c0: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+000185d0: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+000185e0: 6266 2220 706f 696e 7473 3d22 3132 3331 bf\" points=\"1231\n+000185f0: 2e35 372c 2d31 3033 362e 3136 2031 3234 .57,-1036.16 124\n+00018600: 312e 3731 2c2d 3130 3333 2e30 3920 3132 1.71,-1033.09 12\n+00018610: 3331 2e38 382c 2d31 3032 392e 3136 2031 31.88,-1029.16 1\n+00018620: 3233 312e 3537 2c2d 3130 3336 2e31 3622 231.57,-1036.16\"\n+00018630: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00018640: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018650: 6861 7264 7761 7265 2623 3435 3b26 6774 hardware->\n+00018660: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00018670: 6163 735f 7574 696c 6974 7920 2d2d 3e0a acs_utility -->.\n+00018680: 3c67 2069 643d 2265 6467 6531 3334 2220 <g id=\"edge134\" \n+00018690: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+000186a0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000186b0: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+000186c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000186d0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+000186e0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....\n+00018870: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+000188e0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n+000188f0: 6477 6172 6526 2334 353b 2667 743b 6d6f dware->mo\n+00018900: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00018910: 5f73 696d 643c 2f74 6974 6c65 3e0a 3c70 _simd....\n+00018a10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00018a80: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00018a90: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+00018aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00018ab0: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat.....\n+00018c80: 3c67 2069 643d 2265 6467 6531 3431 2220 .module_src_\n+00018cb0: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+00018cc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018cd0: 635f 6772 6f6d 6163 735f 6d61 7468 3c2f c_gromacs_math.....<\n+00018e40: 6720 6964 3d22 6564 6765 3134 3022 2063 g id=\"edge140\" c\n+00018e50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00018e70: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+00018e80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018e90: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00018ea0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n+00019020: 6720 6964 3d22 6564 6765 3133 3922 2063 g id=\"edge139\" c\n+00019030: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00019050: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+00019060: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019070: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00019080: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..\n+000191b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n+000192a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000192b0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n+000192c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000192d0: 6373 5f6c 696e 6561 7261 6c67 6562 7261 cs_linearalgebra\n+000192e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+000193d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n+000194c0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+000194d0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+000194e0: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n+000194f0: 6375 7469 6c3c 2f74 6974 6c65 3e0a 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735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+00019b80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00019b90: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+00019ba0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00019bb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00019bc0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00019bd0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00019be0: 224d 3230 3536 2e34 332c 2d38 3538 2e36 \"M2056.43,-858.6\n+00019bf0: 3243 3230 3436 2e31 382c 2d38 3637 2e36 2C2046.18,-867.6\n+00019c00: 2032 3033 322e 3631 2c2d 3838 312e 3235 2032.61,-881.25\n+00019c10: 2032 3032 352c 2d38 3936 2e31 3820 3139 2025,-896.18 19\n+00019c20: 3933 2e36 312c 2d39 3537 2e37 3720 3230 93.61,-957.77 20\n+00019c30: 3433 2e31 352c 2d39 3939 2e32 2031 3939 43.15,-999.2 199\n+00019c40: 352c 2d31 3034 382e 3739 2031 3937 302e 5,-1048.79 1970.\n+00019c50: 3939 2c2d 3130 3733 2e35 3220 3138 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7261 6a65 6374 6f72 7920 2d2d cs_trajectory --\n+0001a0a0: 3e0a 3c67 2069 643d 2265 6467 6531 3338 >.<g id=\"edge138\n+0001a0b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001a0c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001a0d0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0001a0e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001a0f0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+0001a100: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory.<\n+0001a110: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001a120: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001a130: 2220 643d 224d 3230 3937 2e31 332c 2d38 \" d=\"M2097.13,-8\n+0001a140: 3435 2e34 3643 3233 3034 2e36 382c 2d38 45.46C2304.68,-8\n+0001a150: 3432 2e39 3220 3336 3333 2c2d 3832 302e 42.92 3633,-820.\n+0001a160: 3337 2033 3633 332c 2d36 3539 2e31 3420 37 3633,-659.14 \n+0001a170: 3336 3333 2c2d 3635 392e 3134 2033 3633 3633,-659.14 363\n+0001a180: 332c 2d36 3539 2e31 3420 3336 3333 2c2d 3,-659.14 3633,-\n+0001a190: 3135 342e 3138 2033 3633 332c 2d31 3137 154.18 3633,-117\n+0001a1a0: 2e36 3220 3336 3435 2e35 322c 2d37 362e .62 3645.52,-76.\n+0001a1b0: 3635 2033 3635 342e 3338 2c2d 3532 2e32 65 3654.38,-52.2\n+0001a1c0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.....\n+0001a2b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a2c0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+0001a2d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001a2e0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0001a2f0: 6365 735f 6177 683c 2f74 6974 6c65 3e0a ces_awh.\n+0001a300: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+0001a380: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+0001a470: 6d61 6373 5f67 6d78 6c69 6226 2334 353b macs_gmxlib-\n+0001a480: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001a490: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math......mod\n+0001a710: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a720: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n+0001a730: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a740: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+0001a750: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001a760: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001a770: 6662 6622 2064 3d22 4d32 3331 332e 392c fbf\" d=\"M2313.9,\n+0001a780: 2d31 3638 2e36 3843 3233 3230 2e34 362c -168.68C2320.46,\n+0001a790: 2d31 3930 2e38 3520 3233 3333 2c2d 3233 -190.85 2333,-23\n+0001a7a0: 382e 3632 2032 3333 332c 2d32 3739 2e39 8.62 2333,-279.9\n+0001a7b0: 3220 3233 3333 2c2d 3430 372e 3636 2032 2 2333,-407.66 2\n+0001a7c0: 3333 332c 2d34 3037 2e36 3620 3233 3333 333,-407.66 2333\n+0001a7d0: 2c2d 3430 372e 3636 2032 3333 332c 2d35 ,-407.66 2333,-5\n+0001a7e0: 3135 2e37 3120 3233 3639 2e38 332c 2d35 15.71 2369.83,-5\n+0001a7f0: 3338 2e30 3220 3233 3837 2c2d 3634 342e 38.02 2387,-644.\n+0001a800: 3720 3233 3932 2e30 392c 2d36 3736 2e33 7 2392.09,-676.3\n+0001a810: 3520 3233 3939 2e30 352c 2d37 3234 2e37 5 2399.05,-724.7\n+0001a820: 3320 3233 3933 2c2d 3733 342e 3434 2032 3 2393,-734.44 2\n+0001a830: 3239 322e 3137 2c2d 3839 362e 3132 2032 292.17,-896.12 2\n+0001a840: 3139 312e 3735 2c2d 3837 322e 3635 2032 191.75,-872.65 2\n+0001a850: 3030 382c 2d39 3233 2e30 3520 3139 3033 008,-923.05 1903\n+0001a860: 2e33 342c 2d39 3531 2e37 3620 3135 3735 .34,-951.76 1575\n+0001a870: 2e33 382c 2d39 3635 2e36 3320 3134 3531 .38,-965.63 1451\n+0001a880: 2e32 352c 2d39 3639 2e39 3522 2f3e 0a3c .25,-969.95\"/>.<\n+0001a890: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001a8a0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001a8b0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001a8c0: 3134 3530 2e38 2c2d 3936 362e 3436 2031 1450.8,-966.46 1\n+0001a8d0: 3434 302e 3933 2c2d 3937 302e 3320 3134 440.93,-970.3 14\n+0001a8e0: 3531 2e30 342c 2d39 3733 2e34 3620 3134 51.04,-973.46 14\n+0001a8f0: 3530 2e38 2c2d 3936 362e 3436 222f 3e0a 50.8,-966.46\"/>.\n+0001a900: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001a910: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001a920: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+0001a930: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001a940: 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 opology -->.<g i\n+0001a950: 643d 2265 6467 6531 3536 2220 636c 6173 d=\"edge156\" clas\n+0001a960: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001a970: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001a980: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n+0001a990: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001a9a0: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology</\n+0001a9b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001a9c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001a9d0: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+0001a9e0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001a9f0: 2064 3d22 4d32 3334 312e 3736 2c2d 3135 d=\"M2341.76,-15\n+0001aa00: 362e 3237 4332 3436 302e 3638 2c2d 3135 6.27C2460.68,-15\n+0001aa10: 362e 3933 2032 3837 342e 3934 2c2d 3136 6.93 2874.94,-16\n+0001aa20: 322e 3239 2032 3931 342c 2d32 3034 2e36 2.29 2914,-204.6\n+0001aa30: 3120 3239 3232 2e31 2c2d 3231 332e 3339 1 2922.1,-213.39\n+0001aa40: 2032 3931 382e 3339 2c2d 3232 302e 3338 2918.39,-220.38\n+0001aa50: 2032 3931 342c 2d32 3331 2e34 3820 3238 2914,-231.48 28\n+0001aa60: 3537 2e36 2c2d 3337 3420 3237 3939 2e33 57.6,-374 2799.3\n+0001aa70: 312c 2d33 3839 2e32 3720 3236 3738 2c2d 1,-389.27 2678,-\n+0001aa80: 3438 322e 3936 2032 3434 362e 3536 2c2d 482.96 2446.56,-\n+0001aa90: 3636 312e 3720 3233 3635 2e31 382c 2d36 661.7 2365.18,-6\n+0001aaa0: 3734 2e30 3620 3231 3030 2c2d 3739 372e 74.06 2100,-797.\n+0001aab0: 3331 2031 3938 352e 3436 2c2d 3835 302e 31 1985.46,-850.\n+0001aac0: 3535 2031 3131 322e 3235 2c2d 3131 3036 55 1112.25,-1106\n+0001aad0: 2e32 3420 3130 3431 2c2d 3132 3130 2e35 .24 1041,-1210.5\n+0001aae0: 3320 3130 3334 2e32 362c 2d31 3232 302e 3 1034.26,-1220.\n+0001aaf0: 3339 2031 3033 322e 3938 2c2d 3132 3238 39 1032.98,-1228\n+0001ab00: 2e35 3520 3130 3431 2c2d 3132 3337 2e34 .55 1041,-1237.4\n+0001ab10: 2031 3037 302e 3631 2c2d 3132 3730 2e30 1070.61,-1270.0\n+0001ab20: 3720 3133 3639 2e31 312c 2d31 3238 312e 7 1369.11,-1281.\n+0001ab30: 3438 2031 3438 362e 3733 2c2d 3132 3834 48 1486.73,-1284\n+0001ab40: 2e37 3322 2f3e 0a3c 706f 6c79 676f 6e20 .73\"/>.<polygon \n+0001ab50: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+0001ab60: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+0001ab70: 706f 696e 7473 3d22 3134 3836 2e37 382c points=\"1486.78,\n+0001ab80: 2d31 3238 382e 3233 2031 3439 362e 3837 -1288.23 1496.87\n+0001ab90: 2c2d 3132 3835 2031 3438 362e 3937 2c2d ,-1285 1486.97,-\n+0001aba0: 3132 3831 2e32 3320 3134 3836 2e37 382c 1281.23 1486.78,\n+0001abb0: 2d31 3238 382e 3233 222f 3e0a 3c2f 673e -1288.23\"/>.</g>\n+0001abc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001abd0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226 _gromacs_gmxlib&\n+0001abe0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001abf0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0001ac00: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001ac10: 3135 3422 2063 6c61 7373 3d22 6564 6765 154\" class=\"edge\n+0001ac20: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001ac30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001ac40: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+0001ac50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001ac60: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib....\n+0001adc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+0001ae30: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001ae40: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0001ae50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ae60: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+0001ae70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+0001afc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001afd0: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+0001afe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001aff0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n+0001b000: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001b010: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+0001b020: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+0001b030: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001b040: 4d32 3334 312e 3333 2c2d 3135 322e 3343 M2341.33,-152.3C\n+0001b050: 3234 3834 2e34 2c2d 3134 332e 3736 2033 2484.4,-143.76 3\n+0001b060: 3037 362e 3831 2c2d 3130 382e 3337 2033 076.81,-108.37 3\n+0001b070: 3236 382e 3731 2c2d 3936 2e39 3122 2f3e 268.71,-96.91\"/>\n+0001b080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001b090: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+0001b0a0: 6c61 636b 2220 706f 696e 7473 3d22 3332 lack\" points=\"32\n+0001b0b0: 3639 2e31 322c 2d31 3030 2e33 3920 3332 69.12,-100.39 32\n+0001b0c0: 3738 2e38 392c 2d39 362e 3320 3332 3638 78.89,-96.3 3268\n+0001b0d0: 2e37 2c2d 3933 2e34 2033 3236 392e 3132 .7,-93.4 3269.12\n+0001b0e0: 2c2d 3130 302e 3339 222f 3e0a 3c2f 673e ,-100.39\"/>.</g>\n+0001b0f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001b100: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226 _gromacs_gmxlib&\n+0001b110: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001b120: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+0001b130: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+0001b140: 6531 3535 2220 636c 6173 733d 2265 6467 e155\" class=\"edg\n+0001b150: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001b160: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001b170: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0001b180: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b190: 7461 626c 6573 3c2f 7469 746c 653e 0a3c tables.<\n+0001b1a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001b1b0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+0001b1c0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001b1d0: 6179 3d22 352c 3222 2064 3d22 4d32 3237 ay=\"5,2\" d=\"M227\n+0001b1e0: 392e 3037 2c2d 3135 382e 3438 4332 3231 9.07,-158.48C221\n+0001b1f0: 322e 3535 2c2d 3136 352e 3420 3230 3530 2.55,-165.4 2050\n+0001b200: 2e39 332c 2d31 3831 2e32 3120 3139 3135 .93,-181.21 1915\n+0001b210: 2c2d 3138 362e 3631 2031 3532 372e 3239 ,-186.61 1527.29\n+0001b220: 2c2d 3230 322e 3031 2031 3035 372e 3639 ,-202.01 1057.69\n+0001b230: 2c2d 3136 392e 3136 2039 3139 2e32 332c ,-169.16 919.23,\n+0001b240: 2d31 3538 2e34 3222 2f3e 0a3c 706f 6c79 -158.42\"/>.....\n+0001b320: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001b330: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0001b340: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001b350: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0001b360: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d.....\n+0001b4d0: 3c67 2069 643d 2265 6467 6531 3438 2220 .module_src_\n+0001b500: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+0001b510: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b520: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+0001b530: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....<\n+0001b7d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001b7e0: 726f 6d61 6373 5f67 6d78 6c69 6226 2334 romacs_gmxlib\n+0001b7f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001b800: 5f67 726f 6d61 6373 5f73 696d 6420 2d2d _gromacs_simd --\n+0001b810: 3e0a 3c67 2069 643d 2265 6467 6531 3533 >..\n+0001b830: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001b840: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0001b850: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001b860: 7372 635f 6772 6f6d 6163 735f 7369 6d64 src_gromacs_simd\n+0001b870: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0001b920: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+0001b9d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001b9e0: 7263 5f67 726f 6d61 6373 5f73 7761 703c rc_gromacs_swap<\n+0001b9f0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+0001ba00: 5f6e 6f64 6532 3122 3e3c 6120 786c 696e _node21\"><a xlin\n+0001ba10: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+0001ba20: 6f64 756c 655f 5f73 7761 702e 7868 746d odule__swap.xhtm\n+0001ba30: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n+0001ba40: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7377 xlink:title=\"sw\n+0001ba50: 6170 223e 0a3c 656c 6c69 7073 6520 6669 ap\">.<ellipse fi\n+0001ba60: 6c6c 3d22 2365 3563 6366 6622 2073 7472 ll=\"#e5ccff\" str\n+0001ba70: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0001ba80: 3231 3636 2220 6379 3d22 2d35 3935 2e32 2166\" cy=\"-595.2\n+0001ba90: 3722 2072 783d 2232 372e 3635 2220 7279 7\" rx=\"27.65\" ry\n+0001baa0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+0001bab0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+0001bac0: 6464 6c65 2220 783d 2232 3136 3622 2079 ddle\" x=\"2166\" y\n+0001bad0: 3d22 2d35 3932 2e37 3722 2066 6f6e 742d =\"-592.77\" font-\n+0001bae0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+0001baf0: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+0001bb00: 3030 223e 7377 6170 3c2f 7465 7874 3e0a 00\">swap</text>.\n+0001bb10: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+0001bb20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001bb30: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+0001bb40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001bb50: 726f 6d61 6373 5f6d 6474 7970 6573 202d romacs_mdtypes -\n+0001bb60: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n+0001bb70: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+0001bb80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001bb90: 7263 5f67 726f 6d61 6373 5f73 7761 7026 rc_gromacs_swap&\n+0001bba0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001bbb0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0001bbc0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......modu\n+0001bda0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0001bdb0: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n+0001bdc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001bdd0: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n+0001bde0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n+0001c010: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c020: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+0001c030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c040: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+0001c050: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n+0001c190: 6720 6964 3d22 6564 6765 3136 3522 2063 g id=\"edge165\" c\n+0001c1a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001c1c0: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+0001c1d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001c1e0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil......m\n+0001c410: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c420: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n+0001c430: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c440: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+0001c450: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0001c540: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+0001c630: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n+0001c640: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001c650: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib......module_src_gr\n+0001c840: 6f6d 6163 735f 7377 6170 2623 3435 3b26 omacs_swap-&\n+0001c850: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c860: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec......module_src_gr\n+0001ca10: 6f6d 6163 735f 7377 6170 2623 3435 3b26 omacs_swap-&\n+0001ca20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001ca30: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility......\n+0001cc60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001cc70: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+0001cc80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001cc90: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing</title\n+0001cca0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001ccb0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001ccc0: 6662 6622 2064 3d22 4d32 3135 352e 3035 fbf\" d=\"M2155.05\n+0001ccd0: 2c2d 3538 322e 3735 4332 3134 362e 3637 ,-582.75C2146.67\n+0001cce0: 2c2d 3537 332e 3432 2032 3133 352e 3334 ,-573.42 2135.34\n+0001ccf0: 2c2d 3535 392e 3620 3231 3238 2c2d 3534 ,-559.6 2128,-54\n+0001cd00: 352e 3833 2032 3038 302e 3634 2c2d 3435 5.83 2080.64,-45\n+0001cd10: 362e 3937 2032 3130 312e 3639 2c2d 3432 6.97 2101.69,-42\n+0001cd20: 312e 3038 2032 3035 382c 2d33 3330 2e33 1.08 2058,-330.3\n+0001cd30: 3520 3230 3433 2e34 372c 2d33 3030 2e31 5 2043.47,-300.1\n+0001cd40: 3820 3139 3939 2e37 312c 2d32 3237 2e32 8 1999.71,-227.2\n+0001cd50: 2031 3937 352c 2d32 3034 2e36 3120 3139 1975,-204.61 19\n+0001cd60: 3537 2e39 342c 2d31 3839 2e30 3120 3139 57.94,-189.01 19\n+0001cd70: 3334 2e39 332c 2d31 3736 2e37 3520 3139 34.93,-176.75 19\n+0001cd80: 3136 2e34 352c 2d31 3638 2e34 3622 2f3e 16.45,-168.46\"/>\n+0001cd90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001cda0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0001cdb0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0001cdc0: 3d22 3139 3137 2e38 322c 2d31 3635 2e32 =\"1917.82,-165.2\n+0001cdd0: 3420 3139 3037 2e32 352c 2d31 3634 2e34 4 1907.25,-164.4\n+0001cde0: 3920 3139 3135 2e30 352c 2d31 3731 2e36 9 1915.05,-171.6\n+0001cdf0: 3720 3139 3137 2e38 322c 2d31 3635 2e32 7 1917.82,-165.2\n+0001ce00: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+0001ce10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ce20: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n+0001ce30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ce40: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n+0001ce50: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n+0001ce60: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n+0001ce70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001ce80: 7263 5f67 726f 6d61 6373 5f73 7761 7026 rc_gromacs_swap&\n+0001ce90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001cea0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0001ceb0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+0001cec0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+0001d050: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d060: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+0001d070: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001d080: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n+0001d090: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001d0a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+0001d0b0: 6564 2220 643d 224d 3131 3839 2e34 312c ed\" d=\"M1189.41,\n+0001d0c0: 2d32 3834 2e35 3643 3131 3132 2e39 352c -284.56C1112.95,\n+0001d0d0: 2d32 3931 2e32 3520 3932 322e 3733 2c2d -291.25 922.73,-\n+0001d0e0: 3330 392e 3831 2039 3033 2c2d 3333 302e 309.81 903,-330.\n+0001d0f0: 3335 2038 3336 2e36 322c 2d33 3939 2e34 35 836.62,-399.4\n+0001d100: 3620 3839 322e 322c 2d34 3530 2e30 3920 6 892.2,-450.09 \n+0001d110: 3839 362c 2d35 3435 2e38 3320 3930 312e 896,-545.83 901.\n+0001d120: 3536 2c2d 3638 352e 3837 2038 3834 2e36 56,-685.87 884.6\n+0001d130: 362c 2d37 3234 2e38 3220 3932 312c 2d38 6,-724.82 921,-8\n+0001d140: 3630 2e31 3820 3932 392e 3033 2c2d 3839 60.18 929.03,-89\n+0001d150: 302e 3038 2039 3536 2e32 322c 2d39 3637 0.08 956.22,-967\n+0001d160: 2e33 3620 3938 312c 2d39 3835 2e39 3220 .36 981,-985.92 \n+0001d170: 3130 3139 2e38 322c 2d31 3031 342e 3939 1019.82,-1014.99\n+0001d180: 2031 3135 372e 3631 2c2d 3130 3237 2e32 1157.61,-1027.2\n+0001d190: 3920 3132 3332 2e32 2c2d 3130 3331 2e39 9 1232.2,-1031.9\n+0001d1a0: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+0001d1b0: 6c6c 3d22 7265 6422 2073 7472 6f6b 653d ll=\"red\" stroke=\n+0001d1c0: 2272 6564 2220 706f 696e 7473 3d22 3132 \"red\" points=\"12\n+0001d1d0: 3332 2e30 392c 2d31 3033 352e 3431 2031 32.09,-1035.41 1\n+0001d1e0: 3234 322e 3238 2c2d 3130 3332 2e35 3120 242.28,-1032.51 \n+0001d1f0: 3132 3332 2e35 312c 2d31 3032 382e 3432 1232.51,-1028.42\n+0001d200: 2031 3233 322e 3039 2c2d 3130 3335 2e34 1232.09,-1035.4\n+0001d210: 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 1\"/>.</g>.<!-- m\n+0001d220: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d230: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+0001d240: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001d250: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n+0001d260: 6720 6964 3d22 6564 6765 3136 3922 2063 g id=\"edge169\" c\n+0001d270: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001d280: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001d290: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n+0001d2a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d2b0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0001d2c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001d2d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001d2e0: 3d22 7265 6422 2064 3d22 4d31 3231 382e =\"red\" d=\"M1218.\n+0001d2f0: 3332 2c2d 3239 342e 3539 4331 3231 362e 32,-294.59C1216.\n+0001d300: 3431 2c2d 3330 342e 3332 2031 3231 342c 41,-304.32 1214,\n+0001d310: 2d33 3138 2e31 3220 3132 3133 2c2d 3333 -318.12 1213,-33\n+0001d320: 302e 3335 2031 3230 392e 3734 2c2d 3337 0.35 1209.74,-37\n+0001d330: 302e 3134 2031 3231 322e 392c 2d33 3830 0.14 1212.9,-380\n+0001d340: 2e33 3820 3132 3137 2c2d 3432 302e 3039 .38 1217,-420.09\n+0001d350: 2031 3234 302e 3931 2c2d 3635 312e 3735 1240.91,-651.75\n+0001d360: 2031 3234 382e 3032 2c2d 3732 312e 3039 1248.02,-721.09\n+0001d370: 2031 3336 342c 2d39 3233 2e30 3520 3133 1364,-923.05 13\n+0001d380: 3639 2e38 312c 2d39 3333 2e31 3620 3133 69.81,-933.16 13\n+0001d390: 3737 2e36 352c 2d39 3433 2e33 3620 3133 77.65,-943.36 13\n+0001d3a0: 3834 2e37 392c 2d39 3531 2e37 3822 2f3e 84.79,-951.78\"/>\n+0001d3b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001d3c0: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n+0001d3d0: 2220 706f 696e 7473 3d22 3133 3832 2e33 \" points=\"1382.3\n+0001d3e0: 362c 2d39 3534 2e33 3120 3133 3931 2e35 6,-954.31 1391.5\n+0001d3f0: 382c 2d39 3539 2e35 3320 3133 3837 2e36 8,-959.53 1387.6\n+0001d400: 322c 2d39 3439 2e37 2031 3338 322e 3336 2,-949.7 1382.36\n+0001d410: 2c2d 3935 342e 3331 222f 3e0a 3c2f 673e ,-954.31\"/>.</g>\n+0001d420: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001d430: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+0001d440: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001d450: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n+0001d460: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n+0001d470: 643d 2265 6467 6531 3739 2220 636c 6173 d=\"edge179\" clas\n+0001d480: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001d490: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001d4a0: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n+0001d4b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001d4c0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+0001d4d0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......mod\n+0001d640: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d650: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n+0001d660: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d670: 5f74 6f70 6f6c 6f67 793c 2f74 6974 6c65 _topology</title\n+0001d680: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001d690: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0001d6a0: 6662 6622 2064 3d22 4d31 3138 382e 382c fbf\" d=\"M1188.8,\n+0001d6b0: 2d32 3833 2e33 3843 3131 3036 2e35 352c -283.38C1106.55,\n+0001d6c0: 2d32 3837 2e35 3120 3839 302e 372c 2d33 -287.51 890.7,-3\n+0001d6d0: 3030 2e39 3220 3832 362c 2d33 3330 2e33 00.92 826,-330.3\n+0001d6e0: 3520 3731 362e 3534 2c2d 3338 302e 3134 5 716.54,-380.14\n+0001d6f0: 2037 3037 2e31 322c 2d34 3235 2e30 3620 707.12,-425.06 \n+0001d700: 3633 322c 2d35 3138 2e39 3620 3632 322e 632,-518.96 622.\n+0001d710: 372c 2d35 3330 2e35 3920 3632 312e 3132 7,-530.59 621.12\n+0001d720: 2c2d 3533 342e 3036 2036 3132 2c2d 3534 ,-534.06 612,-54\n+0001d730: 352e 3833 2035 3939 2e34 322c 2d35 3632 5.83 599.42,-562\n+0001d740: 2e30 3720 3539 342e 3438 2c2d 3536 342e .07 594.48,-564.\n+0001d750: 3739 2035 3833 2c2d 3538 312e 3833 2035 79 583,-581.83 5\n+0001d760: 3435 2e38 372c 2d36 3336 2e39 3220 3532 45.87,-636.92 52\n+0001d770: 362c 2d36 3533 2e35 3720 3532 362c 2d37 6,-653.57 526,-7\n+0001d780: 3230 2e30 3120 3532 362c 2d31 3033 362e 20.01 526,-1036.\n+0001d790: 3336 2035 3236 2c2d 3130 3336 2e33 3620 36 526,-1036.36 \n+0001d7a0: 3532 362c 2d31 3033 362e 3336 2035 3236 526,-1036.36 526\n+0001d7b0: 2c2d 3130 3731 2e34 3820 3533 332e 3331 ,-1071.48 533.31\n+0001d7c0: 2c2d 3130 3830 2e37 3520 3535 302c 2d31 ,-1080.75 550,-1\n+0001d7d0: 3131 312e 3636 2035 3836 2e38 342c 2d31 111.66 586.84,-1\n+0001d7e0: 3137 392e 3931 2035 3939 2e33 382c 2d31 179.91 599.38,-1\n+0001d7f0: 3230 372e 3633 2036 3731 2c2d 3132 3337 207.63 671,-1237\n+0001d800: 2e34 2037 3436 2e33 372c 2d31 3236 382e .4 746.37,-1268.\n+0001d810: 3733 2031 3331 362e 3937 2c2d 3132 3831 73 1316.97,-1281\n+0001d820: 2e37 3920 3134 3836 2e35 392c 2d31 3238 .79 1486.59,-128\n+0001d830: 352e 3031 222f 3e0a 3c70 6f6c 7967 6f6e 5.01\"/>.<polygon\n+0001d840: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001d850: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001d860: 2070 6f69 6e74 733d 2231 3438 362e 3634 points=\"1486.64\n+0001d870: 2c2d 3132 3838 2e35 3120 3134 3936 2e37 ,-1288.51 1496.7\n+0001d880: 312c 2d31 3238 352e 3220 3134 3836 2e37 1,-1285.2 1486.7\n+0001d890: 382c 2d31 3238 312e 3531 2031 3438 362e 8,-1281.51 1486.\n+0001d8a0: 3634 2c2d 3132 3838 2e35 3122 2f3e 0a3c 64,-1288.51\"/>.<\n+0001d8b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0001d8c0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+0001d8d0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n+0001d8e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+0001d8f0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+0001d900: 6765 3137 3222 2063 6c61 7373 3d22 6564 ge172\" class=\"ed\n+0001d910: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001d920: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0001d930: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+0001d940: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d950: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......\n+0001dad0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001dae0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n+0001daf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001db00: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n+0001db10: 696c 3c2f 7469 746c 653e 0a3c 7061 7468 il.\n+0001dbb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0001dc20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+0001dca0: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n+0001dcb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001dcc0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware.....\n+0001ddf0: 3c67 2069 643d 2265 6467 6531 3731 2220 .module_src_\n+0001de20: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+0001de30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001de40: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+0001de50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n+0001dfb0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+0001dfc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001dfd0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec.....\n+0001e140: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001e150: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+0001e160: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001e170: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0001e180: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity......modu\n+0001e360: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0001e370: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+0001e380: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e390: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n+0001e3a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001e3b0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001e3c0: 2220 643d 224d 3132 3431 2e38 362c 2d32 \" d=\"M1241.86,-2\n+0001e3d0: 3730 2e35 4331 3237 382e 392c 2d32 3534 70.5C1278.9,-254\n+0001e3e0: 2e32 2031 3335 382e 3936 2c2d 3232 302e .2 1358.96,-220.\n+0001e3f0: 3934 2031 3433 302c 2d32 3034 2e36 3120 94 1430,-204.61 \n+0001e400: 3135 3830 2e34 312c 2d31 3730 2e30 3420 1580.41,-170.04 \n+0001e410: 3137 3634 2e35 372c 2d31 3630 2e30 3420 1764.57,-160.04 \n+0001e420: 3138 3434 2e36 342c 2d31 3537 2e32 3322 1844.64,-157.23\"\n+0001e430: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....\n+0001e510: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e520: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+0001e530: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001e540: 6163 735f 7369 6d64 3c2f 7469 746c 653e acs_simd\n+0001e550: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0001e5d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n+0001e640: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+0001e670: 6720 6964 3d22 6e6f 6465 3233 2220 636c g id=\"node23\" cl\n+0001e680: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+0001e6a0: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n+0001e6b0: 7973 6973 3c2f 7469 746c 653e 0a3c 656c ysis..ener\n+0001e770: 6779 616e 616c 7973 6973 3c2f 7465 7874 gyanalysis....module_\n+0001e800: 7372 635f 6772 6f6d 6163 735f 656e 6572 src_gromacs_ener\n+0001e810: 6779 616e 616c 7973 6973 2623 3435 3b26 gyanalysis-&\n+0001e820: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001e830: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469 omacs_gmxana</ti\n+0001e840: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001e850: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001e860: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n+0001e870: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001e880: 3d22 4d36 3031 2e37 312c 2d31 3635 392e =\"M601.71,-1659.\n+0001e890: 3032 4337 3532 2e32 382c 2d31 3634 372e 02C752.28,-1647.\n+0001e8a0: 3531 2031 3139 372e 332c 2d31 3631 332e 51 1197.3,-1613.\n+0001e8b0: 3731 2031 3536 372c 2d31 3538 372e 3735 71 1567,-1587.75\n+0001e8c0: 2031 3832 362e 322c 2d31 3536 392e 3535 1826.2,-1569.55\n+0001e8d0: 2032 3133 372e 3338 2c2d 3135 3439 2e34 2137.38,-1549.4\n+0001e8e0: 3720 3232 3531 2e33 372c 2d31 3534 322e 7 2251.37,-1542.\n+0001e8f0: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066 16\"/>.<polygon f\n+0001e900: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n+0001e910: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n+0001e920: 6f69 6e74 733d 2232 3235 312e 3731 2c2d oints=\"2251.71,-\n+0001e930: 3135 3435 2e36 3520 3232 3631 2e34 362c 1545.65 2261.46,\n+0001e940: 2d31 3534 312e 3532 2032 3235 312e 3236 -1541.52 2251.26\n+0001e950: 2c2d 3135 3338 2e36 3620 3232 3531 2e37 ,-1538.66 2251.7\n+0001e960: 312c 2d31 3534 352e 3635 222f 3e0a 3c2f 1,-1545.65\"/>.</\n+0001e970: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001e980: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001e990: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001e9a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001e9b0: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+0001e9c0: 2265 6467 6531 3832 2220 636c 6173 733d \"edge182\" class=\n+0001e9d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001e9e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e9f0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+0001ea00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001ea10: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+0001ea20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001ea30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001ea40: 6266 6266 6266 2220 643d 224d 3235 3830 bfbfbf\" d=\"M2580\n+0001ea50: 2e30 372c 2d33 3439 2e38 3543 3235 3536 .07,-349.85C2556\n+0001ea60: 2e33 332c 2d33 3535 2e38 2032 3532 332e .33,-355.8 2523.\n+0001ea70: 3637 2c2d 3336 382e 3231 2032 3530 382c 67,-368.21 2508,\n+0001ea80: 2d33 3933 2e32 3220 3234 3435 2e34 392c -393.22 2445.49,\n+0001ea90: 2d34 3932 2e39 3520 3235 3633 2e33 362c -492.95 2563.36,\n+0001eaa0: 2d35 3330 2e32 3920 3235 3931 2c2d 3634 -530.29 2591,-64\n+0001eab0: 342e 3720 3236 3036 2e39 332c 2d37 3130 4.7 2606.93,-710\n+0001eac0: 2e36 3320 3236 3235 2e39 312c 2d37 3339 .63 2625.91,-739\n+0001ead0: 2e31 3620 3235 3931 2c2d 3739 372e 3331 .16 2591,-797.31\n+0001eae0: 2032 3536 302e 3432 2c2d 3834 382e 3236 2560.42,-848.26\n+0001eaf0: 2032 3532 382e 372c 2d38 3339 2e34 3720 2528.7,-839.47 \n+0001eb00: 3234 3733 2c2d 3836 302e 3138 2032 3431 2473,-860.18 241\n+0001eb10: 332e 3633 2c2d 3838 322e 3235 2032 3235 3.63,-882.25 225\n+0001eb20: 372e 372c 2d39 3134 2e31 2032 3139 352c 7.7,-914.1 2195,\n+0001eb30: 2d39 3233 2e30 3520 3139 3135 2e34 2c2d -923.05 1915.4,-\n+0001eb40: 3936 322e 3935 2031 3537 352e 3636 2c2d 962.95 1575.66,-\n+0001eb50: 3937 302e 3031 2031 3435 312e 3434 2c2d 970.01 1451.44,-\n+0001eb60: 3937 312e 3234 222f 3e0a 3c70 6f6c 7967 971.24\"/>.<polyg\n+0001eb70: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+0001eb80: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+0001eb90: 6622 2070 6f69 6e74 733d 2231 3435 312e f\" points=\"1451.\n+0001eba0: 3131 2c2d 3936 372e 3734 2031 3434 312e 11,-967.74 1441.\n+0001ebb0: 3134 2c2d 3937 312e 3333 2031 3435 312e 14,-971.33 1451.\n+0001ebc0: 3137 2c2d 3937 342e 3734 2031 3435 312e 17,-974.74 1451.\n+0001ebd0: 3131 2c2d 3936 372e 3734 222f 3e0a 3c2f 11,-967.74\"/>.</\n+0001ebe0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001ebf0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001ec00: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001ec10: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+0001ec20: 706f 6c6f 6779 202d 2d3e 0a3c 6720 6964 pology -->.<g id\n+0001ec30: 3d22 6564 6765 3139 3222 2063 6c61 7373 =\"edge192\" class\n+0001ec40: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001ec50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ec60: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+0001ec70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001ec80: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology</\n+0001ec90: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001eca0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001ecb0: 2223 6266 6266 6266 2220 643d 224d 3236 \"#bfbfbf\" d=\"M26\n+0001ecc0: 3038 2e33 382c 2d33 3537 2e34 3943 3236 08.38,-357.49C26\n+0001ecd0: 3039 2e33 352c 2d33 3839 2e32 3520 3236 09.35,-389.25 26\n+0001ece0: 3132 2e30 342c 2d34 3734 2e36 3520 3236 12.04,-474.65 26\n+0001ecf0: 3135 2c2d 3534 352e 3833 2032 3632 332e 15,-545.83 2623.\n+0001ed00: 3134 2c2d 3734 312e 3436 2032 3638 322e 14,-741.46 2682.\n+0001ed10: 3236 2c2d 3739 352e 3931 2032 3633 352c 26,-795.91 2635,\n+0001ed20: 2d39 3835 2e39 3220 3236 3239 2e32 382c -985.92 2629.28,\n+0001ed30: 2d31 3030 382e 3934 2032 3535 342e 3532 -1008.94 2554.52\n+0001ed40: 2c2d 3131 3631 2e30 3620 3235 3335 2c2d ,-1161.06 2535,-\n+0001ed50: 3131 3734 2e35 3320 3234 3935 2e30 342c 1174.53 2495.04,\n+0001ed60: 2d31 3230 322e 3132 2031 3737 302e 3537 -1202.12 1770.57\n+0001ed70: 2c2d 3132 3635 2e36 3520 3135 3739 2e37 ,-1265.65 1579.7\n+0001ed80: 352c 2d31 3238 312e 3936 222f 3e0a 3c70 5,-1281.96\"/>.<p\n+0001ed90: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0001eda0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0001edb0: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+0001edc0: 3537 392e 3433 2c2d 3132 3738 2e34 3820 579.43,-1278.48 \n+0001edd0: 3135 3639 2e37 362c 2d31 3238 322e 3831 1569.76,-1282.81\n+0001ede0: 2031 3538 302e 3033 2c2d 3132 3835 2e34 1580.03,-1285.4\n+0001edf0: 3520 3135 3739 2e34 332c 2d31 3237 382e 5 1579.43,-1278.\n+0001ee00: 3438 222f 3e0a 3c2f 673e 0a3c 212d 2d20 48\"/>.</g>.<!-- \n+0001ee10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ee20: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+0001ee30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001ee40: 6f6d 6163 735f 6c69 6e65 6172 616c 6765 omacs_linearalge\n+0001ee50: 6272 6120 2d2d 3e0a 3c67 2069 643d 2265 bra -->.<g id=\"e\n+0001ee60: 6467 6531 3839 2220 636c 6173 733d 2265 dge189\" class=\"e\n+0001ee70: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001ee80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ee90: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+0001eea0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001eeb0: 6373 5f6c 696e 6561 7261 6c67 6562 7261 cs_linearalgebra\n+0001eec0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n+0001f0b0: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+0001f0c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001f0d0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib..<\n+0001f150: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001f160: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001f170: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001f180: 3133 3937 2e30 392c 2d35 3232 2e38 3220 1397.09,-522.82 \n+0001f190: 3133 3837 2e37 2c2d 3532 372e 3731 2031 1387.7,-527.71 1\n+0001f1a0: 3339 382e 3039 2c2d 3532 392e 3734 2031 398.09,-529.74 1\n+0001f1b0: 3339 372e 3039 2c2d 3532 322e 3832 222f 397.09,-522.82\"/\n+0001f1c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_src_gr\n+0001f240: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+0001f250: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001f260: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n+0001f270: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+0001f410: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001f420: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001f430: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001f440: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0001f450: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio....\n+0001f660: 0a3c 6720 6964 3d22 6564 6765 3138 3122 ..<\n+0001f680: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001f690: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+0001f6a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001f6b0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+0001f6c0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.....\n+0001f820: 3c67 2069 643d 2265 6467 6531 3838 2220 .module_src_\n+0001f850: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+0001f860: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001f870: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001f880: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......mo\n+0001f9f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fa00: 5f70 756c 6c69 6e67 2623 3435 3b26 6774 _pulling->\n+0001fa10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001fa20: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+0001fa30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001fa40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001fa50: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+0001fa60: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001fa70: 643d 224d 3236 3338 2e34 362c 2d33 3430 d=\"M2638.46,-340\n+0001fa80: 2e39 3843 3237 3230 2e35 332c 2d33 3335 .98C2720.53,-335\n+0001fa90: 2e38 3420 3239 3434 2e37 392c 2d33 3139 .84 2944.79,-319\n+0001faa0: 2e37 3920 3330 3134 2c2d 3239 342e 3335 .79 3014,-294.35\n+0001fab0: 2033 3132 392e 3134 2c2d 3235 322e 3032 3129.14,-252.02\n+0001fac0: 2033 3133 392e 3533 2c2d 3230 362e 3036 3139.53,-206.06\n+0001fad0: 2033 3234 342c 2d31 3431 2e37 3420 3332 3244,-141.74 32\n+0001fae0: 3632 2e30 312c 2d31 3330 2e36 3520 3332 62.01,-130.65 32\n+0001faf0: 3832 2e36 322c 2d31 3138 2e38 3820 3332 82.62,-118.88 32\n+0001fb00: 3939 2e30 332c 2d31 3039 2e37 3322 2f3e 99.03,-109.73\"/>\n+0001fb10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001fb20: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+0001fb30: 6c61 636b 2220 706f 696e 7473 3d22 3333 lack\" points=\"33\n+0001fb40: 3031 2e31 312c 2d31 3132 2e35 3820 3333 01.11,-112.58 33\n+0001fb50: 3038 2e31 362c 2d31 3034 2e36 3620 3332 08.16,-104.66 32\n+0001fb60: 3937 2e37 322c 2d31 3036 2e34 3520 3333 97.72,-106.45 33\n+0001fb70: 3031 2e31 312c 2d31 3132 2e35 3822 2f3e 01.11,-112.58\"/>\n+0001fb80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001fb90: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+0001fba0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n+0001fbb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fbc0: 5f75 7469 6c69 7479 202d 2d3e 0a3c 6720 _utility -->.<g \n+0001fbd0: 6964 3d22 6564 6765 3138 3422 2063 6c61 id=\"edge184\" cla\n+0001fbe0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001fbf0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001fc00: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+0001fc10: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001fc20: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+0001fc30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001fc40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001fc50: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001fc60: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0001fc70: 2220 643d 224d 3236 3332 2e32 2c2d 3335 \" d=\"M2632.2,-35\n+0001fc80: 322e 3331 4332 3639 392e 3136 2c2d 3337 2.31C2699.16,-37\n+0001fc90: 332e 3335 2032 3838 322e 3938 2c2d 3433 3.35 2882.98,-43\n+0001fca0: 322e 3831 2032 3839 392c 2d34 3536 2e30 2.81 2899,-456.0\n+0001fcb0: 3920 3239 3035 2e37 372c 2d34 3635 2e39 9 2905.77,-465.9\n+0001fcc0: 3320 3239 3033 2e31 362c 2d34 3731 2e37 3 2903.16,-471.7\n+0001fcd0: 3620 3238 3939 2c2d 3438 322e 3936 2032 6 2899,-482.96 2\n+0001fce0: 3839 312e 3635 2c2d 3530 322e 3736 2032 891.65,-502.76 2\n+0001fcf0: 3837 352e 3335 2c2d 3439 392e 3137 2032 875.35,-499.17 2\n+0001fd00: 3836 382c 2d35 3138 2e39 3620 3238 3633 868,-518.96 2863\n+0001fd10: 2e38 342c 2d35 3330 2e31 3620 3238 3633 .84,-530.16 2863\n+0001fd20: 2e39 332c 2d35 3334 2e36 2032 3836 382c .93,-534.6 2868,\n+0001fd30: 2d35 3435 2e38 3320 3238 3735 2e30 392c -545.83 2875.09,\n+0001fd40: 2d35 3635 2e34 3120 3238 3930 2e39 312c -565.41 2890.91,\n+0001fd50: 2d35 3632 2e32 3520 3238 3938 2c2d 3538 -562.25 2898,-58\n+0001fd60: 312e 3833 2032 3930 322e 3037 2c2d 3539 1.83 2902.07,-59\n+0001fd70: 332e 3036 2032 3930 302e 3938 2c2d 3539 3.06 2900.98,-59\n+0001fd80: 372e 3134 2032 3839 382c 2d36 3038 2e37 7.14 2898,-608.7\n+0001fd90: 2032 3837 342e 3134 2c2d 3730 312e 3420 2874.14,-701.4 \n+0001fda0: 3238 3632 2e36 332c 2d37 3330 2e35 3820 2862.63,-730.58 \n+0001fdb0: 3237 3934 2c2d 3739 372e 3331 2032 3735 2794,-797.31 275\n+0001fdc0: 302e 3237 2c2d 3833 392e 3833 2032 3732 0.27,-839.83 272\n+0001fdd0: 372e 372c 2d38 3335 2e33 3120 3236 3732 7.7,-835.31 2672\n+0001fde0: 2c2d 3836 302e 3138 2032 3532 382e 3638 ,-860.18 2528.68\n+0001fdf0: 2c2d 3932 342e 3137 2032 3438 382e 3931 ,-924.17 2488.91\n+0001fe00: 2c2d 3933 302e 3637 2032 3334 322c 2d39 ,-930.67 2342,-9\n+0001fe10: 3835 2e39 3220 3232 3938 2e39 362c 2d31 85.92 2298.96,-1\n+0001fe20: 3030 322e 3131 2032 3238 352e 3234 2c2d 002.11 2285.24,-\n+0001fe30: 3939 392e 3637 2032 3234 352c 2d31 3032 999.67 2245,-102\n+0001fe40: 312e 3932 2032 3232 372e 3834 2c2d 3130 1.92 2227.84,-10\n+0001fe50: 3331 2e34 3120 3232 3238 2e31 382c 2d31 31.41 2228.18,-1\n+0001fe60: 3034 312e 3435 2032 3231 302c 2d31 3034 041.45 2210,-104\n+0001fe70: 382e 3739 2032 3133 392e 3535 2c2d 3130 8.79 2139.55,-10\n+0001fe80: 3737 2e32 3320 3139 3131 2e32 372c 2d31 77.23 1911.27,-1\n+0001fe90: 3039 312e 3034 2031 3832 302e 3131 2c2d 091.04 1820.11,-\n+0001fea0: 3130 3935 2e35 3222 2f3e 0a3c 706f 6c79 1095.52\"/>.<poly\n+0001feb0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0001fec0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0001fed0: 6363 2220 706f 696e 7473 3d22 3138 3139 cc\" points=\"1819\n+0001fee0: 2e37 372c 2d31 3039 322e 3034 2031 3830 .77,-1092.04 180\n+0001fef0: 392e 3935 2c2d 3130 3936 2e30 3120 3138 9.95,-1096.01 18\n+0001ff00: 3230 2e31 312c 2d31 3039 392e 3033 2031 20.11,-1099.03 1\n+0001ff10: 3831 392e 3737 2c2d 3130 3932 2e30 3422 819.77,-1092.04\"\n+0001ff20: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001ff30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ff40: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+0001ff50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001ff60: 6373 5f74 696d 696e 6720 2d2d 3e0a 3c67 cs_timing -->.<g\n+0001ff70: 2069 643d 2265 6467 6531 3931 2220 636c id=\"edge191\" cl\n+0001ff80: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001ff90: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001ffa0: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+0001ffb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ffc0: 5f67 726f 6d61 6373 5f74 696d 696e 673c _gromacs_timing<\n+0001ffd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001ffe0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001fff0: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n+00020000: 3538 362e 3638 2c2d 3333 332e 3838 4332 586.68,-333.88C2\n+00020010: 3532 372e 352c 2d33 3039 2e35 3120 3233 527.5,-309.51 23\n+00020020: 3535 2e37 352c 2d32 3431 2e31 2032 3230 55.75,-241.1 220\n+00020030: 372c 2d32 3034 2e36 3120 3231 3036 2e38 7,-204.61 2106.8\n+00020040: 332c 2d31 3830 2e30 3420 3139 3835 2e38 3,-180.04 1985.8\n+00020050: 392c 2d31 3635 2e38 3920 3139 3234 2e36 9,-165.89 1924.6\n+00020060: 362c 2d31 3539 2e37 3922 2f3e 0a3c 706f 6,-159.79\"/>.<po\n+00020070: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+00020080: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+00020090: 6266 6266 2220 706f 696e 7473 3d22 3139 bfbf\" points=\"19\n+000200a0: 3234 2e39 352c 2d31 3536 2e33 2031 3931 24.95,-156.3 191\n+000200b0: 342e 3635 2c2d 3135 382e 3831 2031 3932 4.65,-158.81 192\n+000200c0: 342e 3236 2c2d 3136 332e 3236 2031 3932 4.26,-163.26 192\n+000200d0: 342e 3935 2c2d 3135 362e 3322 2f3e 0a3c 4.95,-156.3\"/>.<\n+000200e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000200f0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n+00020100: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n+00020110: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00020120: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n+00020130: 3c67 2069 643d 2265 6467 6531 3837 2220 <g id=\"edge187\" \n+00020140: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00020150: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00020160: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n+00020170: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00020180: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00020190: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+000201a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gr\n+00020340: 6f6d 6163 735f 6f70 7469 6f6e 7326 2334 omacs_options\n+00020350: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00020360: 5f67 726f 6d61 6373 5f75 7469 6c69 7479 _gromacs_utility\n+00020370: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+000204f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00020500: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00020510: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00020520: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+00020530: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564 ls -->..modu\n+00020560: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00020570: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+00020580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00020590: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n+000205a0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000205b0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000205c0: 6266 6266 2220 643d 224d 3133 3834 2e32 bfbf\" d=\"M1384.2\n+000205d0: 322c 2d34 3139 2e30 3143 3133 3332 2e39 2,-419.01C1332.9\n+000205e0: 342c 2d34 3539 2e36 2031 3136 332e 3439 4,-459.6 1163.49\n+000205f0: 2c2d 3630 332e 3939 2031 3132 312c 2d37 ,-603.99 1121,-7\n+00020600: 3730 2e34 3420 3131 3131 2e31 342c 2d38 70.44 1111.14,-8\n+00020610: 3039 2e30 3920 3131 3036 2e35 322c 2d38 09.09 1106.52,-8\n+00020620: 3233 2e30 3220 3131 3231 2c2d 3836 302e 23.02 1121,-860.\n+00020630: 3138 2031 3134 382e 3235 2c2d 3933 302e 18 1148.25,-930.\n+00020640: 3134 2031 3231 382e 322c 2d39 3839 2e30 14 1218.2,-989.0\n+00020650: 3120 3132 3535 2e39 352c 2d31 3031 362e 1 1255.95,-1016.\n+00020660: 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2066 95\"/>.<polygon f\n+00020670: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00020680: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00020690: 6f69 6e74 733d 2231 3235 342e 3232 2c2d oints=\"1254.22,-\n+000206a0: 3130 3230 2e30 3220 3132 3634 2e33 372c 1020.02 1264.37,\n+000206b0: 2d31 3032 332e 3036 2031 3235 382e 3333 -1023.06 1258.33\n+000206c0: 2c2d 3130 3134 2e33 3620 3132 3534 2e32 ,-1014.36 1254.2\n+000206d0: 322c 2d31 3032 302e 3032 222f 3e0a 3c2f 2,-1020.02\"/>.</\n+000206e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000206f0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00020700: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00020710: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00020720: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265 pat -->.<g id=\"e\n+00020730: 6467 6532 3039 2220 636c 6173 733d 2265 dge209\" class=\"e\n+00020740: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00020750: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020760: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00020770: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020780: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n+00020790: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+00020870: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00020880: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00020890: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000208a0: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+000208b0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n+000208e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+000208f0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+00020900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00020910: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+00020920: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00020930: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00020940: 2220 643d 224d 3134 3036 2e34 342c 2d34 \" d=\"M1406.44,-4\n+00020950: 3139 2e39 3243 3134 3130 2e33 392c 2d34 19.92C1410.39,-4\n+00020960: 3334 2e38 3320 3134 3132 2e37 332c 2d34 34.83 1412.73,-4\n+00020970: 3630 2e37 3520 3134 3135 2c2d 3438 322e 60.75 1415,-482.\n+00020980: 3936 2031 3431 392e 3439 2c2d 3532 362e 96 1419.49,-526.\n+00020990: 3935 2031 3432 332e 3535 2c2d 3533 372e 95 1423.55,-537.\n+000209a0: 3638 2031 3432 362c 2d35 3831 2e38 3320 68 1426,-581.83 \n+000209b0: 3134 3333 2e37 342c 2d37 3231 2e34 3720 1433.74,-721.47 \n+000209c0: 3134 3135 2e34 2c2d 3735 362e 3337 2031 1415.4,-756.37 1\n+000209d0: 3431 322c 2d38 3936 2e31 3820 3134 3131 412,-896.18 1411\n+000209e0: 2e35 372c 2d39 3133 2e38 3920 3134 3131 .57,-913.89 1411\n+000209f0: 2e35 392c 2d39 3333 2e39 3420 3134 3130 .59,-933.94 1410\n+00020a00: 2e33 382c 2d39 3438 2e39 222f 3e0a 3c70 .38,-948.9\"/>.....\n+00020cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020ce0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00020cf0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00020d00: 6d61 6373 5f74 6f70 6f6c 6f67 793c 2f74 macs_topology</t\n+00020d10: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00020d20: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00020d30: 2362 6662 6662 6622 2064 3d22 4d31 3336 #bfbfbf\" d=\"M136\n+00020d40: 352e 3334 2c2d 3431 312e 3831 4331 3331 5.34,-411.81C131\n+00020d50: 302e 3032 2c2d 3431 382e 3933 2031 3139 0.02,-418.93 119\n+00020d60: 362e 3534 2c2d 3433 342e 3820 3131 3032 6.54,-434.8 1102\n+00020d70: 2c2d 3435 362e 3039 2031 3037 372e 3436 ,-456.09 1077.46\n+00020d80: 2c2d 3436 312e 3632 2036 3832 2e31 362c ,-461.62 682.16,\n+00020d90: 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733d 2231 fbfbf\" points=\"1\n+00020e80: 3438 372e 3831 2c2d 3132 3835 2e36 3120 487.81,-1285.61 \n+00020e90: 3134 3938 2e30 382c 2d31 3238 3320 3134 1498.08,-1283 14\n+00020ea0: 3838 2e34 322c 2d31 3237 382e 3634 2031 88.42,-1278.64 1\n+00020eb0: 3438 372e 3831 2c2d 3132 3835 2e36 3122 487.81,-1285.61\"\n+00020ec0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00020ed0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020ee0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00020ef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020f00: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+00020f10: 643d 2265 6467 6532 3034 2220 636c 6173 d=\"edge204\" clas\n+00020f20: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00020f30: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00020f40: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00020f50: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020f60: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n+00020f70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00020f80: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00020f90: 6662 6662 6622 2064 3d22 4d31 3339 392e fbfbf\" d=\"M1399.\n+00020fa0: 3332 2c2d 3432 302e 3435 4331 3339 352e 32,-420.45C1395.\n+00020fb0: 3738 2c2d 3433 302e 3031 2031 3338 392e 78,-430.01 1389.\n+00020fc0: 3136 2c2d 3434 332e 3534 2031 3338 352c 16,-443.54 1385,\n+00020fd0: 2d34 3536 2e30 3920 3133 3739 2e32 2c2d -456.09 1379.2,-\n+00020fe0: 3437 332e 3620 3133 3735 2e32 382c 2d34 473.6 1375.28,-4\n+00020ff0: 3934 2e31 3920 3133 3731 2e34 392c 2d35 94.19 1371.49,-5\n+00021000: 3039 2e34 3122 2f3e 0a3c 706f 6c79 676f 09.41\"/>.<polygo\n+00021010: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00021020: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00021030: 2220 706f 696e 7473 3d22 3133 3638 2e30 \" points=\"1368.0\n+00021040: 312c 2d35 3038 2e38 3520 3133 3638 2e37 1,-508.85 1368.7\n+00021050: 332c 2d35 3139 2e34 3220 3133 3734 2e37 3,-519.42 1374.7\n+00021060: 362c 2d35 3130 2e37 3220 3133 3638 2e30 6,-510.72 1368.0\n+00021070: 312c 2d35 3038 2e38 3522 2f3e 0a3c 2f67 1,-508.85\"/>.</g\n+00021080: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00021090: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+000210a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000210b0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n+000210c0: 7469 6c20 2d2d 3e0a 3c67 2069 643d 2265 til -->.<g id=\"e\n+000210d0: 6467 6531 3936 2220 636c 6173 733d 2265 dge196\" class=\"e\n+000210e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000210f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021100: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00021110: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021120: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n+00021130: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00021140: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00021150: 6662 6622 2064 3d22 4d31 3430 342e 3035 fbf\" d=\"M1404.05\n+00021160: 2c2d 3339 332e 3032 4331 3432 332e 3134 ,-393.02C1423.14\n+00021170: 2c2d 3334 352e 3334 2031 3439 302e 3936 ,-345.34 1490.96\n+00021180: 2c2d 3137 352e 3838 2031 3531 352e 3236 ,-175.88 1515.26\n+00021190: 2c2d 3131 352e 3135 222f 3e0a 3c70 6f6c ,-115.15\"/>.<pol\n+000211a0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+000211b0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+000211c0: 6662 6622 2070 6f69 6e74 733d 2231 3531 fbf\" points=\"151\n+000211d0: 382e 3535 2c2d 3131 362e 3334 2031 3531 8.55,-116.34 151\n+000211e0: 392e 3032 2c2d 3130 352e 3735 2031 3531 9.02,-105.75 151\n+000211f0: 322e 3035 2c2d 3131 332e 3734 2031 3531 2.05,-113.74 151\n+00021200: 382e 3535 2c2d 3131 362e 3334 222f 3e0a 8.55,-116.34\"/>.\n+00021210: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00021220: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00021230: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+00021240: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+00021250: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069 ardware -->.<g i\n+00021260: 643d 2265 6467 6532 3037 2220 636c 6173 d=\"edge207\" clas\n+00021270: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00021280: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00021290: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+000212a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000212b0: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware</\n+000212c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000212d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000212e0: 2223 6266 6266 6266 2220 643d 224d 3133 \"#bfbfbf\" d=\"M13\n+000212f0: 3939 2e33 332c 2d33 3933 2e32 3143 3133 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2d32 3331 2e39 3720 3131 3833 2e39 332c -231.97 1183.93,\n+000213f0: 2d32 3235 2e31 3522 2f3e 0a3c 2f67 3e0a -225.15\"/>.</g>.\n+00021400: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00021410: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+00021420: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00021430: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00021440: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00021450: 3139 3422 2063 6c61 7373 3d22 6564 6765 194\" class=\"edge\n+00021460: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00021470: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00021480: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+00021490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+000214a0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio..\n+00021610: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00021680: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021690: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+000216a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000216b0: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n+000216c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000216d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000216e0: 6662 6662 6622 2064 3d22 4d31 3433 302e fbfbf\" d=\"M1430.\n+000216f0: 342c 2d33 3939 2e38 3343 3134 3737 2e30 4,-399.83C1477.0\n+00021700: 392c 2d33 3931 2e30 3920 3135 3637 2e35 9,-391.09 1567.5\n+00021710: 322c 2d33 3733 2e38 3120 3136 3434 2c2d 2,-373.81 1644,-\n+00021720: 3335 372e 3232 2031 3736 322e 3732 2c2d 357.22 1762.72,-\n+00021730: 3333 312e 3436 2031 3739 372e 3435 2c2d 331.46 1797.45,-\n+00021740: 3334 302e 3036 2031 3931 302c 2d32 3934 340.06 1910,-294\n+00021750: 2e33 3520 3139 3630 2e33 392c 2d32 3733 .35 1960.39,-273\n+00021760: 2e38 3820 3139 3731 2e32 312c 2d32 3633 .88 1971.21,-263\n+00021770: 2e37 3420 3230 3135 2c2d 3233 312e 3438 .74 2015,-231.48\n+00021780: 2032 3032 392e 3431 2c2d 3232 302e 3836 2029.41,-220.86\n+00021790: 2032 3032 382e 3933 2c2d 3231 322e 3439 2028.93,-212.49\n+000217a0: 2032 3034 352c 2d32 3034 2e36 3120 3231 2045,-204.61 21\n+000217b0: 3137 2e38 342c 2d31 3638 2e39 3220 3232 17.84,-168.92 22\n+000217c0: 3133 2e36 322c 2d31 3539 2e33 3620 3232 13.62,-159.36 22\n+000217d0: 3637 2e38 322c 2d31 3536 2e39 222f 3e0a 67.82,-156.9\"/>.\n+000217e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000217f0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00021800: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00021810: 2232 3236 382e 3233 2c2d 3136 302e 3339 \"2268.23,-160.39\n+00021820: 2032 3237 382e 3038 2c2d 3135 362e 3520 2278.08,-156.5 \n+00021830: 3232 3637 2e39 362c 2d31 3533 2e33 3920 2267.96,-153.39 \n+00021840: 3232 3638 2e32 332c 2d31 3630 2e33 3922 2268.23,-160.39\"\n+00021850: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00021860: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021870: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+00021880: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021890: 735f 6e62 6e78 6d20 2d2d 3e0a 3c67 2069 s_nbnxm -->.<g i\n+000218a0: 643d 2265 6467 6532 3035 2220 636c 6173 d=\"edge205\" clas\n+000218b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000218c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000218d0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+000218e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000218f0: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm</tit\n+00021900: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021910: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00021920: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00021930: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00021940: 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7263 5f67 >module_src_g\n+00021a30: 726f 6d61 6373 5f70 756c 6c69 6e67 202d romacs_pulling -\n+00021a40: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n+00021a50: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+00021a60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00021a70: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00021a80: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00021a90: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+00021aa0: 6c69 6e67 3c2f 7469 746c 653e 0a3c 7061 ling......\n+00021c10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021c20: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+00021c30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021c40: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n+00021c50: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00021c60: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+00021c70: 2220 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7574 e_src_gromacs_ut\n+00021d60: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n+00021d70: 2265 6467 6531 3938 2220 636c 6173 733d \"edge198\" class=\n+00021d80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00021d90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021da0: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00021db0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00021dc0: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+00021dd0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021de0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00021df0: 3832 6663 6322 2064 3d22 4d31 3336 382e 82fcc\" d=\"M1368.\n+00021e00: 3339 2c2d 3431 332e 3833 4331 3333 332e 39,-413.83C1333.\n+00021e10: 372c 2d34 3231 2e34 3120 3132 3735 2e38 7,-421.41 1275.8\n+00021e20: 392c 2d34 3335 2e37 3920 3132 3239 2c2d 9,-435.79 1229,-\n+00021e30: 3435 362e 3039 2031 3132 392e 3137 2c2d 456.09 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2e37 362c 2d31 3130 302e 3336 2031 43.76,-1100.36 1\n+00021f30: 3735 332e 382c 2d31 3039 362e 3938 2031 753.8,-1096.98 1\n+00021f40: 3734 332e 3835 2c2d 3130 3933 2e33 3620 743.85,-1093.36 \n+00021f50: 3137 3433 2e37 362c 2d31 3130 302e 3336 1743.76,-1100.36\n+00021f60: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00021f70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021f80: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+00021f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021fa0: 6373 5f74 696d 696e 6720 2d2d 3e0a 3c67 cs_timing -->.<g\n+00021fb0: 2069 643d 2265 6467 6532 3031 2220 636c id=\"edge201\" cl\n+00021fc0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00021fd0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00021fe0: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00021ff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00022000: 6772 6f6d 6163 735f 7469 6d69 6e67 3c2f gromacs_timing</\n+00022010: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00022020: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00022030: 2223 6266 6266 6266 2220 643d 224d 3134 \"#bfbfbf\" d=\"M14\n+00022040: 3333 2e31 342c 2d34 3032 2e32 3443 3134 33.14,-402.24C14\n+00022050: 3731 2e39 312c 2d33 3937 2e31 3620 3135 71.91,-397.16 15\n+00022060: 3336 2e30 322c 2d33 3835 2e30 3120 3135 36.02,-385.01 15\n+00022070: 3834 2c2d 3335 372e 3232 2031 3636 362e 84,-357.22 1666.\n+00022080: 3239 2c2d 3330 392e 3535 2031 3635 332e 29,-309.55 1653.\n+00022090: 3033 2c2d 3235 342e 3520 3137 3334 2c2d 03,-254.5 1734,-\n+000220a0: 3230 342e 3631 2031 3736 392e 3433 2c2d 204.61 1769.43,-\n+000220b0: 3138 322e 3738 2031 3831 352e 3636 2c2d 182.78 1815.66,-\n+000220c0: 3136 392e 3835 2031 3834 372e 3538 2c2d 169.85 1847.58,-\n+000220d0: 3136 322e 3931 222f 3e0a 3c70 6f6c 7967 162.91\"/>.<polyg\n+000220e0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+000220f0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00022100: 6622 2070 6f69 6e74 733d 2231 3834 382e f\" points=\"1848.\n+00022110: 3334 2c2d 3136 362e 3333 2031 3835 372e 34,-166.33 1857.\n+00022120: 3431 2c2d 3136 302e 3837 2031 3834 362e 41,-160.87 1846.\n+00022130: 3931 2c2d 3135 392e 3437 2031 3834 382e 91,-159.47 1848.\n+00022140: 3334 2c2d 3136 362e 3333 222f 3e0a 3c2f 34,-166.33\"/>.</\n+00022150: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00022160: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00022170: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00022180: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00022190: 756e 202d 2d3e 0a3c 6720 6964 3d22 6564 un -->.<g id=\"ed\n+000221a0: 6765 3230 3822 2063 6c61 7373 3d22 6564 ge208\" class=\"ed\n+000221b0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000221c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000221d0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+000221e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000221f0: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n+00022200: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00022210: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00022220: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00022230: 6179 3d22 352c 3222 2064 3d22 4d31 3430 ay=\"5,2\" d=\"M140\n+00022240: 362e 3738 2c2d 3431 392e 3936 4331 3431 6.78,-419.96C141\n+00022250: 322e 3338 2c2d 3433 362e 3038 2031 3431 2.38,-436.08 141\n+00022260: 392e 322c 2d34 3634 2e34 3920 3134 3335 9.2,-464.49 1435\n+00022270: 2c2d 3438 322e 3936 2031 3435 362e 3733 ,-482.96 1456.73\n+00022280: 2c2d 3530 382e 3335 2031 3437 342e 342c ,-508.35 1474.4,\n+00022290: 2d34 3938 2e37 3420 3135 3031 2c2d 3531 -498.74 1501,-51\n+000222a0: 382e 3936 2031 3534 382e 3239 2c2d 3535 8.96 1548.29,-55\n+000222b0: 342e 3931 2031 3539 342e 3531 2c2d 3630 4.91 1594.51,-60\n+000222c0: 372e 3536 2031 3631 352e 3334 2c2d 3633 7.56 1615.34,-63\n+000222d0: 362e 3338 222f 3e0a 3c70 6f6c 7967 6f6e 6.38\"/>...<\n+00022350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00022360: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00022370: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00022380: 5f67 726f 6d61 6373 5f69 6d64 202d 2d3e _gromacs_imd -->\n+00022390: 0a3c 6720 6964 3d22 6564 6765 3230 3322 ..<\n+000223b0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000223c0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+000223d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000223e0: 7263 5f67 726f 6d61 6373 5f69 6d64 3c2f rc_gromacs_imd....\n+00022570: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+000225e0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674 _src_gromacs_fft\n+000225f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00022600: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00022610: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils...\n+00022850: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+000228c0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674 _src_gromacs_fft\n+000228d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000228e0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n+000228f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n+00022b00: 6f6d 6163 735f 6666 7426 2334 353b 2667 omacs_fft-&g\n+00022b10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00022b20: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility..<\n+00022c40: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00022c50: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00022c60: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00022c70: 3138 3139 2e30 312c 2d31 3039 302e 3237 1819.01,-1090.27\n+00022c80: 2031 3830 392e 342c 2d31 3039 342e 3734 1809.4,-1094.74\n+00022c90: 2031 3831 392e 372c 2d31 3039 372e 3234 1819.7,-1097.24\n+00022ca0: 2031 3831 392e 3031 2c2d 3130 3930 2e32 1819.01,-1090.2\n+00022cb0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>....module_src_grom\n+00022d30: 6163 735f 6666 7426 2334 353b 2667 743b acs_fft->\n+00022d40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00022d50: 6373 5f74 696d 696e 673c 2f74 6974 6c65 cs_timing......module_src_grom\n+00022ec0: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n+00022ed0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00022ee0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00022ef0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......module_src_gr\n+00023100: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00023110: 6526 2334 353b 2667 743b 6d6f 6475 6c65 e->module\n+00023120: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+00023130: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......modu\n+000232a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 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3838 81,-1224.78 1388\n+000237c0: 2e36 352c 2d31 3232 332e 3331 222f 3e0a .65,-1223.31\"/>.\n+000237d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+000237e0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+000237f0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+00023800: 2231 3338 382e 3833 2c2d 3132 3236 2e38 \"1388.83,-1226.8\n+00023810: 3120 3133 3938 2e38 312c 2d31 3232 332e 1 1398.81,-1223.\n+00023820: 3234 2031 3338 382e 3738 2c2d 3132 3139 24 1388.78,-1219\n+00023830: 2e38 3120 3133 3838 2e38 332c 2d31 3232 .81 1388.83,-122\n+00023840: 362e 3831 222f 3e0a 3c2f 673e 0a3c 212d 6.81\"/>.</g>.<!-\n+00023850: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00023860: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n+00023870: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00023880: 726f 6d61 6373 5f6d 6474 7970 6573 202d romacs_mdtypes -\n+00023890: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232 ->.<g id=\"edge22\n+000238a0: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+000238b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000238c0: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n+000238d0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000238e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+000238f0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.....\n+00023aa0: 3c67 2069 643d 2265 6467 6532 3231 2220 .module_src_\n+00023ad0: 6772 6f6d 6163 735f 7461 626c 6573 2623 gromacs_tables&#\n+00023ae0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00023af0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00023b00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n+00023d40: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n+00023d50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00023d60: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f romacs_options.....<\n+00023ed0: 6720 6964 3d22 6564 6765 3232 3322 2063 g id=\"edge223\" c\n+00023ee0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00023f00: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n+00023f10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00023f20: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n+00023f30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n+00024020: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+00024090: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000240a0: 6373 5f74 6162 6c65 7326 2334 353b 2667 cs_tables-&g\n+000240b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000240c0: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n+000240d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000240e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000240f0: 3238 3266 6363 2220 643d 224d 3834 382e 282fcc\" d=\"M848.\n+00024100: 3435 2c2d 3135 362e 3334 4337 3534 2e36 45,-156.34C754.6\n+00024110: 342c 2d31 3538 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7369 6d64 202d 2d3e 0a3c omacs_simd -->.<\n+000242f0: 6720 6964 3d22 6564 6765 3232 3022 2063 g id=\"edge220\" c\n+00024300: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00024310: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00024320: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n+00024330: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00024340: 5f67 726f 6d61 6373 5f73 696d 643c 2f74 _gromacs_simd</t\n+00024350: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00024360: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00024370: 2332 3832 6663 6322 2064 3d22 4d38 3938 #282fcc\" d=\"M898\n+00024380: 2e31 392c 2d31 3434 2e34 4339 3237 2e30 .19,-144.4C927.0\n+00024390: 362c 2d31 3239 2e37 3820 3938 332e 3433 6,-129.78 983.43\n+000243a0: 2c2d 3130 312e 3520 3130 3332 2c2d 3738 ,-101.5 1032,-78\n+000243b0: 2e38 3720 3130 3539 2e33 352c 2d36 362e .87 1059.35,-66.\n+000243c0: 3133 2031 3039 302e 392c 2d35 322e 3332 13 1090.9,-52.32\n+000243d0: 2031 3131 332e 3138 2c2d 3432 2e37 3322 1113.18,-42.73\"\n+000243e0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000243f0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00024400: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00024410: 7473 3d22 3131 3134 2e36 312c 2d34 352e ts=\"1114.61,-45.\n+00024420: 3932 2031 3132 322e 3431 2c2d 3338 2e37 92 1122.41,-38.7\n+00024430: 3620 3131 3131 2e38 342c 2d33 392e 3439 6 1111.84,-39.49\n+00024440: 2031 3131 342e 3631 2c2d 3435 2e39 3222 1114.61,-45.92\"\n+00024450: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00024460: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024470: 6f6e 6c69 6e65 6865 6c70 2623 3435 3b26 onlinehelp-&\n+00024480: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00024490: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n+000244a0: 3e0a 3c67 2069 643d 2265 6467 6532 3236 >.<g id=\"edge226\n+000244b0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000244c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000244d0: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n+000244e0: 6865 6c70 2623 3435 3b26 6774 3b6d 6f64 help->mod\n+000244f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024500: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00024510: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+00024640: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+00024930: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024940: 6373 5f65 7761 6c64 2623 3435 3b26 6774 cs_ewald->\n+00024950: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00024960: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+00024970: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n+00024b70: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+00024b80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00024b90: 6d61 6373 5f6d 6474 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655f /g>.<!-- module_\n+00024fa0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+00024fb0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+00024fc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00024fd0: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00024fe0: 6765 3233 3522 2063 6c61 7373 3d22 6564 ge235\" class=\"ed\n+00024ff0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00025000: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00025010: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+00025020: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025030: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......mod\n+000251e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000251f0: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+00025200: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00025210: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+00025220: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+000253c0: 0a3c 6720 6964 3d22 6564 6765 3233 3922 ..<\n+000253e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000253f0: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n+00025400: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025410: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n+00025420: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re......module_src_grom\n+000255a0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+000255b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000255c0: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib....\n+000256e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+000258f0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+00025900: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+00025910: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00025920: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..\n+00025a20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00025a90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00025aa0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+00025ab0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025ac0: 6666 743c 2f74 6974 6c65 3e0a 3c70 6174 fft.\n+00025b30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+00025c10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00025c20: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n+00025c30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025c40: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00025c50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00025e30: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+00025e40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00025e50: 6d61 6373 5f74 696d 696e 673c 2f74 6974 macs_timing......module_src_gr\n+00025fe0: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n+00025ff0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026000: 726f 6d61 6373 5f73 696d 643c 2f74 6974 romacs_simd......modu\n+00026370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+00026380: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n+00026390: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000263a0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n+000263b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00026500: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n+000265f0: 6163 735f 7574 696c 6974 7926 2334 353b acs_utility-\n+00026600: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026610: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math......mo\n+00026940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00026950: 5f74 696d 696e 6726 2334 353b 2667 743b _timing->\n+00026960: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026970: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00026980: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00026990: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000269a0: 6266 6266 2220 643d 224d 3138 3839 2e30 bfbf\" d=\"M1889.0\n+000269b0: 312c 2d31 3638 2e36 3843 3139 3035 2e31 1,-168.68C1905.1\n+000269c0: 372c 2d32 3433 2e31 3620 3139 3532 2e38 7,-243.16 1952.8\n+000269d0: 312c 2d36 3236 2e36 3820 3139 3237 2c2d 1,-626.68 1927,-\n+000269e0: 3637 312e 3537 2031 3837 312e 352c 2d37 671.57 1871.5,-7\n+000269f0: 3638 2e31 3220 3135 3435 2e31 352c 2d39 68.12 1545.15,-9\n+00026a00: 3134 2e33 3820 3134 3337 2e33 382c 2d39 14.38 1437.38,-9\n+00026a10: 3538 2e34 3622 2f3e 0a3c 706f 6c79 676f 58.46\"/>.<polygo\n+00026a20: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00026a30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00026a40: 2220 706f 696e 7473 3d22 3134 3335 2e38 \" points=\"1435.8\n+00026a50: 392c 2d39 3535 2e32 3920 3134 3237 2e39 9,-955.29 1427.9\n+00026a60: 342c 2d39 3632 2e32 3920 3134 3338 2e35 4,-962.29 1438.5\n+00026a70: 322c 2d39 3631 2e37 3820 3134 3335 2e38 2,-961.78 1435.8\n+00026a80: 392c 2d39 3535 2e32 3922 2f3e 0a3c 2f67 9,-955.29\"/>.</g\n+00026a90: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00026aa0: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n+00026ab0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00026ac0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+00026ad0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->.<g id=\"e\n+00026ae0: 6467 6532 3436 2220 636c 6173 733d 2265 dge246\" class=\"e\n+00026af0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00026b00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026b10: 7469 6d69 6e67 2623 3435 3b26 6774 3b6d timing->m\n+00026b20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00026b30: 735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n+00026b40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00026b50: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00026b60: 6663 6322 2064 3d22 4d31 3839 322e 3034 fcc\" d=\"M1892.04\n+00026b70: 2c2d 3136 382e 3334 4331 3930 362e 3335 ,-168.34C1906.35\n+00026b80: 2c2d 3139 322e 3834 2031 3934 302e 3239 ,-192.84 1940.29\n+00026b90: 2c2d 3234 392e 3537 2031 3937 332c 2d32 ,-249.57 1973,-2\n+00026ba0: 3934 2e33 3520 3139 3835 2e32 392c 2d33 94.35 1985.29,-3\n+00026bb0: 3131 2e31 3720 3139 3935 2e39 312c 2d33 11.17 1995.91,-3\n+00026bc0: 3130 2e37 3720 3230 3033 2c2d 3333 302e 10.77 2003,-330.\n+00026bd0: 3335 2032 3030 372e 3037 2c2d 3334 312e 35 2007.07,-341.\n+00026be0: 3538 2032 3030 342e 3433 2c2d 3334 352e 58 2004.43,-345.\n+00026bf0: 3336 2032 3030 332c 2d33 3537 2e32 3220 36 2003,-357.22 \n+00026c00: 3139 3637 2e35 372c 2d36 3530 2e37 3820 1967.57,-650.78 \n+00026c10: 3138 3239 2e31 372c 2d39 3837 2e37 3320 1829.17,-987.73 \n+00026c20: 3137 3931 2e35 312c 2d31 3037 352e 3436 1791.51,-1075.46\n+00026c30: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00026c40: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00026c50: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00026c60: 6e74 733d 2231 3738 382e 3138 2c2d 3130 nts=\"1788.18,-10\n+00026c70: 3734 2e33 3320 3137 3837 2e34 332c 2d31 74.33 1787.43,-1\n+00026c80: 3038 342e 3920 3137 3934 2e36 312c 2d31 084.9 1794.61,-1\n+00026c90: 3037 372e 3131 2031 3738 382e 3138 2c2d 077.11 1788.18,-\n+00026ca0: 3130 3734 2e33 3322 2f3e 0a3c 2f67 3e0a 1074.33\"/>.</g>.\n+00026cb0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00026cc0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n+00026cd0: 7420 2d2d 3e0a 3c67 2069 643d 226e 6f64 t -->.<g id=\"nod\n+00026ce0: 6533 3522 2063 6c61 7373 3d22 6e6f 6465 e35\" class=\"node\n+00026cf0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00026d00: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n+00026d10: 7472 6169 6e74 3c2f 7469 746c 653e 0a3c traint.<\n+00026d20: 6720 6964 3d22 615f 6e6f 6465 3335 223e g id=\"a_node35\">\n+00026d30: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..restraint......\n+00026ec0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026ed0: 6373 5f72 6573 7472 6169 6e74 2623 3435 cs_restraint-\n+00026ee0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00026ef0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00026f00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00026f10: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00026f20: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00026f30: 3534 392e 3334 2c2d 3438 322e 3836 4331 549.34,-482.86C1\n+00026f40: 3532 382e 3335 2c2d 3531 372e 3136 2031 528.35,-517.16 1\n+00026f50: 3436 392e 3435 2c2d 3631 372e 3120 3134 469.45,-617.1 14\n+00026f60: 3338 2c2d 3730 372e 3537 2031 3432 382e 38,-707.57 1428.\n+00026f70: 3633 2c2d 3733 342e 3532 2031 3432 392e 63,-734.52 1429.\n+00026f80: 3435 2c2d 3734 322e 3236 2031 3432 352c 45,-742.26 1425,\n+00026f90: 2d37 3730 2e34 3420 3134 3134 2e38 392c -770.44 1414.89,\n+00026fa0: 2d38 3334 2e35 3620 3134 3037 2e39 312c -834.56 1407.91,\n+00026fb0: 2d39 3130 2e39 3220 3134 3034 2e38 312c -910.92 1404.81,\n+00026fc0: 2d39 3438 2e34 222f 3e0a 3c70 6f6c 7967 -948.4\"/>.<polyg\n+00026fd0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00026fe0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00026ff0: 6622 2070 6f69 6e74 733d 2231 3430 312e f\" points=\"1401.\n+00027000: 3239 2c2d 3934 382e 3438 2031 3430 332e 29,-948.48 1403.\n+00027010: 3937 2c2d 3935 382e 3733 2031 3430 382e 97,-958.73 1408.\n+00027020: 3237 2c2d 3934 392e 3034 2031 3430 312e 27,-949.04 1401.\n+00027030: 3239 2c2d 3934 382e 3438 222f 3e0a 3c2f 29,-948.48\"/>.</\n+00027040: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00027050: 7263 5f67 726f 6d61 6373 5f72 6573 7472 rc_gromacs_restr\n+00027060: 6169 6e74 2623 3435 3b26 6774 3b6d 6f64 aint->mod\n+00027070: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027080: 7062 6375 7469 6c20 2d2d 3e0a 3c67 2069 pbcutil -->.<g i\n+00027090: 643d 2265 6467 6532 3530 2220 636c 6173 d=\"edge250\" clas\n+000270a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000270b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000270c0: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n+000270d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000270e0: 5f67 726f 6d61 6373 5f70 6263 7574 696c _gromacs_pbcutil\n+000270f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00027190: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n+00027250: 0a3c 6720 6964 3d22 6564 6765 3234 3822 ..<\n+00027270: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00027280: 5f67 726f 6d61 6373 5f72 6573 7472 6169 _gromacs_restrai\n+00027290: 6e74 2623 3435 3b26 6774 3b6d 6f64 756c nt->modul\n+000272a0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000272b0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......m\n+000274c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000274d0: 735f 7265 7374 7261 696e 7426 2334 353b s_restraint-\n+000274e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000274f0: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00027500: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00027510: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00027520: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00027530: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00027540: 643d 224d 3135 3333 2c2d 3435 392e 3238 d=\"M1533,-459.28\n+00027550: 4331 3530 362e 3137 2c2d 3434 382e 3934 C1506.17,-448.94\n+00027560: 2031 3436 322e 3532 2c2d 3433 322e 3133 1462.52,-432.13\n+00027570: 2031 3433 322e 3337 2c2d 3432 302e 3531 1432.37,-420.51\n+00027580: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00027590: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+000275a0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+000275b0: 6e74 733d 2231 3433 332e 3239 2c2d 3431 nts=\"1433.29,-41\n+000275c0: 372e 3132 2031 3432 322e 372c 2d34 3136 7.12 1422.7,-416\n+000275d0: 2e37 3920 3134 3330 2e37 382c 2d34 3233 .79 1430.78,-423\n+000275e0: 2e36 3520 3134 3333 2e32 392c 2d34 3137 .65 1433.29,-417\n+000275f0: 2e31 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .12\"/>.</g>.<!--\n+00027600: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00027610: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+00027620: 756e 6374 696f 6e73 202d 2d3e 0a3c 6720 unctions -->.<g \n+00027630: 6964 3d22 6e6f 6465 3336 2220 636c 6173 id=\"node36\" clas\n+00027640: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00027650: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00027660: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+00027670: 756e 6374 696f 6e73 3c2f 7469 746c 653e unctions\n+00027680: 0a3c 6720 6964 3d22 615f 6e6f 6465 3336 ...cor\n+000277b0: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+000277c0: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f s......\n+00027850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027860: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+00027870: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n+00027880: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027890: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n+000278a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000278b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+000278c0: 6662 6622 2064 3d22 4d32 3433 342e 3632 fbf\" d=\"M2434.62\n+000278d0: 2c2d 3131 3437 2e33 3143 3234 3233 2e31 ,-1147.31C2423.1\n+000278e0: 352c 2d31 3132 312e 3139 2032 3339 342e 5,-1121.19 2394.\n+000278f0: 3039 2c2d 3130 3630 2e39 2032 3335 352c 09,-1060.9 2355,\n+00027900: 2d31 3032 312e 3932 2032 3237 352e 3938 -1021.92 2275.98\n+00027910: 2c2d 3934 332e 3133 2032 3135 342e 3731 ,-943.13 2154.71\n+00027920: 2c2d 3838 342e 3337 2032 3039 392e 3336 ,-884.37 2099.36\n+00027930: 2c2d 3836 302e 3035 222f 3e0a 3c70 6f6c ,-860.05\"/>.<pol\n+00027940: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00027950: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00027960: 6662 6622 2070 6f69 6e74 733d 2232 3130 fbf\" points=\"210\n+00027970: 302e 372c 2d38 3536 2e38 3220 3230 3930 0.7,-856.82 2090\n+00027980: 2e31 332c 2d38 3536 2e30 3520 3230 3937 .13,-856.05 2097\n+00027990: 2e39 312c 2d38 3633 2e32 3420 3231 3030 .91,-863.24 2100\n+000279a0: 2e37 2c2d 3835 362e 3832 222f 3e0a 3c2f .7,-856.82\"/>.</\n+000279b0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000279c0: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n+000279d0: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326 lationfunctions&\n+000279e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000279f0: 7263 5f67 726f 6d61 6373 5f66 6674 202d rc_gromacs_fft -\n+00027a00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3235 ->.<g id=\"edge25\n+00027a10: 3422 2063 6c61 7373 3d22 6564 6765 223e 4\" class=\"edge\">\n+00027a20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00027a30: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n+00027a40: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7326 lationfunctions&\n+00027a50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00027a60: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f rc_gromacs_fft</\n+00027a70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00027a80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00027a90: 2223 3238 3266 6363 2220 643d 224d 3234 \"#282fcc\" d=\"M24\n+00027aa0: 3433 2e35 342c 2d31 3134 372e 3535 4332 43.54,-1147.55C2\n+00027ab0: 3435 332e 3839 2c2d 3131 3038 2e33 3420 453.89,-1108.34 \n+00027ac0: 3234 3831 2e30 352c 2d39 3835 2e33 3720 2481.05,-985.37 \n+00027ad0: 3234 3432 2c2d 3839 362e 3138 2032 3433 2442,-896.18 243\n+00027ae0: 322e 3534 2c2d 3837 342e 3537 2032 3431 2.54,-874.57 241\n+00027af0: 362e 3336 2c2d 3837 392e 3632 2032 3430 6.36,-879.62 240\n+00027b00: 332c 2d38 3630 2e31 3820 3233 3634 2e31 3,-860.18 2364.1\n+00027b10: 332c 2d38 3033 2e36 2032 3235 332c 2d35 3,-803.6 2253,-5\n+00027b20: 3337 2e31 3620 3232 3533 2c2d 3437 302e 37.16 2253,-470.\n+00027b30: 3533 2032 3235 332c 2d34 3730 2e35 3320 53 2253,-470.53 \n+00027b40: 3232 3533 2c2d 3437 302e 3533 2032 3235 2253,-470.53 225\n+00027b50: 332c 2d34 3035 2e36 3620 3232 3533 2c2d 3,-405.66 2253,-\n+00027b60: 3336 312e 3939 2032 3231 372e 3433 2c2d 361.99 2217.43,-\n+00027b70: 3332 312e 3534 2032 3139 332e 3733 2c2d 321.54 2193.73,-\n+00027b80: 3239 392e 3433 222f 3e0a 3c70 6f6c 7967 299.43\"/>.<polyg\n+00027b90: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00027ba0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00027bb0: 6322 2070 6f69 6e74 733d 2232 3139 352e c\" points=\"2195.\n+00027bc0: 3938 2c2d 3239 362e 3735 2032 3138 362e 98,-296.75 2186.\n+00027bd0: 3231 2c2d 3239 322e 3636 2032 3139 312e 21,-292.66 2191.\n+00027be0: 332c 2d33 3031 2e39 3520 3231 3935 2e39 3,-301.95 2195.9\n+00027bf0: 382c 2d32 3936 2e37 3522 2f3e 0a3c 2f67 8,-296.75\"/>.</g\n+00027c00: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00027c10: 635f 6772 6f6d 6163 735f 636f 7272 656c c_gromacs_correl\n+00027c20: 6174 696f 6e66 756e 6374 696f 6e73 2623 ationfunctions&#\n+00027c30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00027c40: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00027c50: 646c 696e 6520 2d2d 3e0a 3c67 2069 643d dline -->.<g id=\n+00027c60: 2265 6467 6532 3533 2220 636c 6173 733d \"edge253\" class=\n+00027c70: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00027c80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00027c90: 735f 636f 7272 656c 6174 696f 6e66 756e s_correlationfun\n+00027ca0: 6374 696f 6e73 2623 3435 3b26 6774 3b6d ctions->m\n+00027cb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00027cc0: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n+00027cd0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00027ce0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00027cf0: 2332 3832 6663 6322 2064 3d22 4d32 3531 #282fcc\" d=\"M251\n+00027d00: 302e 3332 2c2d 3131 3538 2e35 3543 3237 0.32,-1158.55C27\n+00027d10: 3435 2e39 362c 2d31 3135 312e 3520 3334 45.96,-1151.5 34\n+00027d20: 3933 2c2d 3131 3133 2e31 3720 3334 3933 93,-1113.17 3493\n+00027d30: 2c2d 3931 302e 3632 2033 3439 332c 2d39 ,-910.62 3493,-9\n+00027d40: 3130 2e36 3220 3334 3933 2c2d 3931 302e 10.62 3493,-910.\n+00027d50: 3632 2033 3439 332c 2d37 3230 2e30 3120 62 3493,-720.01 \n+00027d60: 3334 3933 2c2d 3637 302e 3439 2033 3439 3493,-670.49 349\n+00027d70: 362e 3839 2c2d 3635 382e 3231 2033 3439 6.89,-658.21 349\n+00027d80: 382c 2d36 3038 2e37 2033 3439 392e 3532 8,-608.7 3499.52\n+00027d90: 2c2d 3534 302e 3839 2033 3439 382e 3937 ,-540.89 3498.97\n+00027da0: 2c2d 3532 332e 3931 2033 3439 382c 2d34 ,-523.91 3498,-4\n+00027db0: 3536 2e30 3920 3334 3936 2e38 392c 2d33 56.09 3496.89,-3\n+00027dc0: 3738 2e36 3620 3334 3933 2c2d 3335 392e 78.66 3493,-359.\n+00027dd0: 3336 2033 3439 332c 2d32 3831 2e39 3220 36 3493,-281.92 \n+00027de0: 3334 3933 2c2d 3238 312e 3932 2033 3439 3493,-281.92 349\n+00027df0: 332c 2d32 3831 2e39 3220 3334 3933 2c2d 3,-281.92 3493,-\n+00027e00: 3231 372e 3035 2033 3439 332c 2d31 3832 217.05 3493,-182\n+00027e10: 2e39 3220 3335 3030 2e36 372c 2d31 3637 .92 3500.67,-167\n+00027e20: 2e32 3520 3334 3738 2c2d 3134 312e 3734 .25 3478,-141.74\n+00027e30: 2033 3435 352e 3532 2c2d 3131 362e 3434 3455.52,-116.44\n+00027e40: 2033 3431 392e 3639 2c2d 3130 342e 3239 3419.69,-104.29\n+00027e50: 2033 3338 382e 382c 2d39 382e 3439 222f 3388.8,-98.49\"/\n+00027e60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00027e70: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00027e80: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00027e90: 733d 2233 3338 382e 3938 2c2d 3934 2e39 s=\"3388.98,-94.9\n+00027ea0: 3720 3333 3738 2e35 342c 2d39 362e 3735 7 3378.54,-96.75\n+00027eb0: 2033 3338 372e 3831 2c2d 3130 312e 3837 3387.81,-101.87\n+00027ec0: 2033 3338 382e 3938 2c2d 3934 2e39 3722 3388.98,-94.97\"\n+00027ed0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00027ee0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027ef0: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n+00027f00: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n+00027f10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027f20: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069 utility -->.<g i\n+00027f30: 643d 2265 6467 6532 3531 2220 636c 6173 d=\"edge251\" clas\n+00027f40: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00027f50: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00027f60: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+00027f70: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n+00027f80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00027f90: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+00027fa0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00027fb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00027fc0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00027fd0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00027fe0: 224d 3233 3738 2e31 2c2d 3131 3534 2e33 \"M2378.1,-1154.3\n+00027ff0: 3743 3232 3433 2e37 332c 2d31 3134 312e 7C2243.73,-1141.\n+00028000: 3934 2031 3932 382e 3637 2c2d 3131 3132 94 1928.67,-1112\n+00028010: 2e37 3920 3138 3139 2e38 2c2d 3131 3032 .79 1819.8,-1102\n+00028020: 2e37 3222 2f3e 0a3c 706f 6c79 676f 6e20 .72\"/>.<polygon \n+00028030: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00028040: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00028050: 706f 696e 7473 3d22 3138 3139 2e39 2c2d points=\"1819.9,-\n+00028060: 3130 3939 2e32 3220 3138 3039 2e36 322c 1099.22 1809.62,\n+00028070: 2d31 3130 312e 3738 2031 3831 392e 3236 -1101.78 1819.26\n+00028080: 2c2d 3131 3036 2e31 3920 3138 3139 2e39 ,-1106.19 1819.9\n+00028090: 2c2d 3130 3939 2e32 3222 2f3e 0a3c 2f67 ,-1099.22\"/>.</g\n+000280a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000280b0: 635f 6772 6f6d 6163 735f 616e 616c 7973 c_gromacs_analys\n+000280c0: 6973 6461 7461 202d 2d3e 0a3c 6720 6964 isdata -->.<g id\n+000280d0: 3d22 6e6f 6465 3337 2220 636c 6173 733d =\"node37\" class=\n+000280e0: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+000280f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00028100: 735f 616e 616c 7973 6973 6461 7461 3c2f s_analysisdata</\n+00028110: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+00028120: 6e6f 6465 3337 223e 3c61 2078 6c69 6e6b node37\"><a xlink\n+00028130: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+00028140: 6475 6c65 5f5f 616e 616c 7973 6973 6461 dule__analysisda\n+00028150: 7461 2e78 6874 6d6c 2220 7461 7267 6574 ta.xhtml\" target\n+00028160: 3d22 5f74 6f70 2220 786c 696e 6b3a 7469 =\"_top\" xlink:ti\n+00028170: 746c 653d 2261 6e61 6c79 7369 7364 6174 tle=\"analysisdat\n+00028180: 6122 3e0a 3c65 6c6c 6970 7365 2066 696c a\">.<ellipse fil\n+00028190: 6c3d 2223 6666 6363 6363 2220 7374 726f l=\"#ffcccc\" stro\n+000281a0: 6b65 3d22 626c 6163 6b22 2063 783d 2231 ke=\"black\" cx=\"1\n+000281b0: 3931 3122 2063 793d 222d 3134 3132 2e35 911\" cy=\"-1412.5\n+000281c0: 3822 2072 783d 2235 302e 3431 2220 7279 8\" rx=\"50.41\" ry\n+000281d0: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+000281e0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+000281f0: 6464 6c65 2220 783d 2231 3931 3122 2079 ddle\" x=\"1911\" y\n+00028200: 3d22 2d31 3431 302e 3038 2220 666f 6e74 =\"-1410.08\" font\n+00028210: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00028220: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00028230: 2e30 3022 3e61 6e61 6c79 7369 7364 6174 .00\">analysisdat\n+00028240: 613c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f a</text>.</a>.</\n+00028250: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n+00028260: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00028270: 616e 616c 7973 6973 6461 7461 2623 3435 analysisdata-\n+00028280: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00028290: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n+000282a0: 6e20 2d2d 3e0a 3c67 2069 643d 2265 6467 n -->.<g id=\"edg\n+000282b0: 6532 3538 2220 636c 6173 733d 2265 6467 e258\" class=\"edg\n+000282c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000282d0: 655f 7372 635f 6772 6f6d 6163 735f 616e e_src_gromacs_an\n+000282e0: 616c 7973 6973 6461 7461 2623 3435 3b26 alysisdata-&\n+000282f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00028300: 6f6d 6163 735f 7365 6c65 6374 696f 6e3c omacs_selection<\n+00028310: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00028320: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00028330: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+00028340: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00028350: 643d 224d 3138 3736 2e36 382c 2d31 3430 d=\"M1876.68,-140\n+00028360: 322e 3733 4331 3833 332e 3738 2c2d 3133 2.73C1833.78,-13\n+00028370: 3931 2e36 3620 3137 3630 2e34 362c 2d31 91.66 1760.46,-1\n+00028380: 3337 322e 3735 2031 3731 352e 3034 2c2d 372.75 1715.04,-\n+00028390: 3133 3631 2e30 3322 2f3e 0a3c 706f 6c79 1361.03\"/>.<poly\n+000283a0: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n+000283b0: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+000283c0: 706f 696e 7473 3d22 3137 3135 2e37 392c points=\"1715.79,\n+000283d0: 2d31 3335 372e 3631 2031 3730 352e 3234 -1357.61 1705.24\n+000283e0: 2c2d 3133 3538 2e35 3120 3137 3134 2e30 ,-1358.51 1714.0\n+000283f0: 352c 2d31 3336 342e 3339 2031 3731 352e 5,-1364.39 1715.\n+00028400: 3739 2c2d 3133 3537 2e36 3122 2f3e 0a3c 79,-1357.61\"/>.<\n+00028410: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00028420: 7372 635f 6772 6f6d 6163 735f 616e 616c src_gromacs_anal\n+00028430: 7973 6973 6461 7461 2623 3435 3b26 6774 ysisdata->\n+00028440: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00028450: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n+00028460: 6720 6964 3d22 6564 6765 3235 3622 2063 g id=\"edge256\" c\n+00028470: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00028480: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00028490: 726f 6d61 6373 5f61 6e61 6c79 7369 7364 romacs_analysisd\n+000284a0: 6174 6126 2334 353b 2667 743b 6d6f 6475 ata->modu\n+000284b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+000284c0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio...\n+00028610: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n+00028690: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n+000286a0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+000286b0: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+000286c0: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions......\n+00028ad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00028ae0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00028af0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00028b00: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n+00028b10: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00028b20: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00028b30: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00028b40: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00028b50: 643d 224d 3135 3937 2e32 352c 2d36 3633 d=\"M1597.25,-663\n+00028b60: 2e33 3643 3135 3639 2e32 342c 2d36 3638 .36C1569.24,-668\n+00028b70: 2e39 3120 3135 3237 2e31 352c 2d36 3831 .91 1527.15,-681\n+00028b80: 2e32 3220 3135 3031 2c2d 3730 372e 3537 .22 1501,-707.57\n+00028b90: 2031 3437 302e 3935 2c2d 3733 372e 3834 1470.95,-737.84\n+00028ba0: 2031 3438 372e 3936 2c2d 3736 302e 3137 1487.96,-760.17\n+00028bb0: 2031 3436 372c 2d37 3937 2e33 3120 3134 1467,-797.31 14\n+00028bc0: 3137 2e30 382c 2d38 3835 2e37 3820 3133 17.08,-885.78 13\n+00028bd0: 3335 2e38 372c 2d39 3736 2e34 3320 3132 35.87,-976.43 12\n+00028be0: 3939 2e35 362c 2d31 3031 352e 3034 222f 99.56,-1015.04\"/\n+00028bf0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00028c00: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00028c10: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+00028c20: 733d 2231 3239 362e 3836 2c2d 3130 3132 s=\"1296.86,-1012\n+00028c30: 2e38 3120 3132 3932 2e35 332c 2d31 3032 .81 1292.53,-102\n+00028c40: 322e 3437 2031 3330 312e 3934 2c2d 3130 2.47 1301.94,-10\n+00028c50: 3137 2e36 3220 3132 3936 2e38 362c 2d31 17.62 1296.86,-1\n+00028c60: 3031 322e 3831 222f 3e0a 3c2f 673e 0a3c 012.81\"/>.</g>.<\n+00028c70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00028c80: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00028c90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00028ca0: 6772 6f6d 6163 735f 636f 6d70 6174 202d gromacs_compat -\n+00028cb0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3238 ->.<g id=\"edge28\n+00028cc0: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n+00028cd0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00028ce0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00028cf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00028d00: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+00028d10: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at.....<\n+00028eb0: 6720 6964 3d22 6564 6765 3238 3222 2063 g id=\"edge282\" c\n+00028ec0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00028ee0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00028ef0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00028f00: 6772 6f6d 6163 735f 6d61 7468 3c2f 7469 gromacs_math..\n+000290a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00029110: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00029120: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00029130: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00029140: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+00029150: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00029160: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00029170: 6422 2064 3d22 4d31 3539 372e 3435 2c2d d\" d=\"M1597.45,-\n+00029180: 3636 332e 3736 4331 3535 352e 3138 2c2d 663.76C1555.18,-\n+00029190: 3637 312e 3220 3134 3738 2e39 382c 2d36 671.2 1478.98,-6\n+000291a0: 3837 2e31 3120 3134 3631 2c2d 3730 372e 87.11 1461,-707.\n+000291b0: 3537 2031 3339 372e 3031 2c2d 3738 302e 57 1397.01,-780.\n+000291c0: 3420 3134 3536 2e34 322c 2d38 3330 2e36 4 1456.42,-830.6\n+000291d0: 3720 3134 3237 2c2d 3932 332e 3035 2031 7 1427,-923.05 1\n+000291e0: 3432 342e 3035 2c2d 3933 322e 3331 2031 424.05,-932.31 1\n+000291f0: 3431 392e 3537 2c2d 3934 312e 3939 2031 419.57,-941.99 1\n+00029200: 3431 352e 3237 2c2d 3935 302e 3235 222f 415.27,-950.25\"/\n+00029210: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00029220: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n+00029230: 6422 2070 6f69 6e74 733d 2231 3431 322e d\" points=\"1412.\n+00029240: 3131 2c2d 3934 382e 3732 2031 3431 302e 11,-948.72 1410.\n+00029250: 3431 2c2d 3935 392e 3138 2031 3431 382e 41,-959.18 1418.\n+00029260: 3236 2c2d 3935 322e 3037 2031 3431 322e 26,-952.07 1412.\n+00029270: 3131 2c2d 3934 382e 3732 222f 3e0a 3c2f 11,-948.72\"/>.</\n+00029280: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00029290: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000292a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000292b0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+000292c0: 6e74 6961 6c64 796e 616d 6963 7320 2d2d ntialdynamics --\n+000292d0: 3e0a 3c67 2069 643d 2265 6467 6532 3638 >.<g id=\"edge268\n+000292e0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000292f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00029300: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00029310: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00029320: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n+00029330: 7469 616c 6479 6e61 6d69 6373 3c2f 7469 tialdynamics</ti\n+00029340: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00029350: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00029360: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00029370: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00029380: 3d22 4d31 3635 372e 312c 2d36 3536 2e36 =\"M1657.1,-656.6\n+00029390: 4331 3831 332e 3137 2c2d 3635 332e 3736 C1813.17,-653.76\n+000293a0: 2032 3530 372e 322c 2d36 3339 2e35 2032 2507.2,-639.5 2\n+000293b0: 3539 382c 2d36 3038 2e37 2032 3636 342e 598,-608.7 2664.\n+000293c0: 3439 2c2d 3538 362e 3135 2032 3636 372e 49,-586.15 2667.\n+000293d0: 3836 2c2d 3535 352e 3139 2032 3732 382c 86,-555.19 2728,\n+000293e0: 2d35 3138 2e39 3620 3237 3437 2e30 382c -518.96 2747.08,\n+000293f0: 2d35 3037 2e34 3720 3237 3639 2e31 362c -507.47 2769.16,\n+00029400: 2d34 3935 2e39 2032 3738 372e 3032 2c2d -495.9 2787.02,-\n+00029410: 3438 362e 3935 222f 3e0a 3c70 6f6c 7967 486.95\"/>.<polyg\n+00029420: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00029430: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00029440: 6322 2070 6f69 6e74 733d 2232 3738 392e c\" points=\"2789.\n+00029450: 3036 2c2d 3438 392e 3834 2032 3739 362e 06,-489.84 2796.\n+00029460: 3436 2c2d 3438 322e 3236 2032 3738 352e 46,-482.26 2785.\n+00029470: 3935 2c2d 3438 332e 3537 2032 3738 392e 95,-483.57 2789.\n+00029480: 3036 2c2d 3438 392e 3834 222f 3e0a 3c2f 06,-489.84\"/>.</\n+00029490: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000294a0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000294b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000294c0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+000294d0: 6564 5f66 6f72 6365 7320 2d2d 3e0a 3c67 ed_forces -->.<g\n+000294e0: 2069 643d 2265 6467 6532 3732 2220 636c id=\"edge272\" cl\n+000294f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00029500: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00029510: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00029520: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00029530: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00029540: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces...<\n+000296c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00029730: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00029740: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00029750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00029760: 6373 5f74 6f70 6f6c 6f67 793c 2f74 6974 cs_topology</tit\n+00029770: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00029780: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00029790: 6662 6662 6622 2064 3d22 4d31 3630 352e fbfbf\" d=\"M1605.\n+000297a0: 3432 2c2d 3636 382e 3434 4331 3539 302e 42,-668.44C1590.\n+000297b0: 3239 2c2d 3637 362e 3438 2031 3537 302e 29,-676.48 1570.\n+000297c0: 3733 2c2d 3638 392e 3633 2031 3536 312c 73,-689.63 1561,\n+000297d0: 2d37 3037 2e35 3720 3135 3035 2e30 382c -707.57 1505.08,\n+000297e0: 2d38 3130 2e36 3820 3135 3632 2c2d 3835 -810.68 1562,-85\n+000297f0: 342e 3139 2031 3536 322c 2d39 3731 2e34 4.19 1562,-971.4\n+00029800: 3920 3135 3632 2c2d 3130 3336 2e33 3620 9 1562,-1036.36 \n+00029810: 3135 3632 2c2d 3130 3336 2e33 3620 3135 1562,-1036.36 15\n+00029820: 3632 2c2d 3130 3336 2e33 3620 3135 3632 62,-1036.36 1562\n+00029830: 2c2d 3131 3230 2e35 3320 3135 3436 2e30 ,-1120.53 1546.0\n+00029840: 362c 2d31 3231 392e 3639 2031 3533 382e 6,-1219.69 1538.\n+00029850: 3234 2c2d 3132 3633 2e33 3222 2f3e 0a3c 24,-1263.32\"/>.<\n+00029860: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00029870: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00029880: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00029890: 3135 3334 2e37 392c 2d31 3236 322e 3720 1534.79,-1262.7 \n+000298a0: 3135 3336 2e34 342c 2d31 3237 332e 3137 1536.44,-1273.17\n+000298b0: 2031 3534 312e 3638 2c2d 3132 3633 2e39 1541.68,-1263.9\n+000298c0: 3620 3135 3334 2e37 392c 2d31 3236 322e 6 1534.79,-1262.\n+000298d0: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n+000298e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000298f0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00029900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00029910: 6373 5f6d 696d 6963 202d 2d3e 0a3c 6720 cs_mimic -->.<g \n+00029920: 6964 3d22 6564 6765 3237 3522 2063 6c61 id=\"edge275\" cla\n+00029930: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00029940: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00029950: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00029960: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00029970: 6f6d 6163 735f 6d69 6d69 633c 2f74 6974 omacs_mimic</tit\n+00029980: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00029990: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000299a0: 6662 6662 6622 2064 3d22 4d31 3539 392e fbfbf\" d=\"M1599.\n+000299b0: 3933 2c2d 3635 302e 3734 4331 3535 352e 93,-650.74C1555.\n+000299c0: 3235 2c2d 3633 392e 3737 2031 3436 342e 25,-639.77 1464.\n+000299d0: 3031 2c2d 3631 372e 3338 2031 3431 332e 01,-617.38 1413.\n+000299e0: 3534 2c2d 3630 342e 3939 222f 3e0a 3c70 54,-604.99\"/>.<p\n+000299f0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00029a00: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00029a10: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00029a20: 3431 342e 3237 2c2d 3630 312e 3536 2031 414.27,-601.56 1\n+00029a30: 3430 332e 3732 2c2d 3630 322e 3538 2031 403.72,-602.58 1\n+00029a40: 3431 322e 362c 2d36 3038 2e33 3620 3134 412.6,-608.36 14\n+00029a50: 3134 2e32 372c 2d36 3031 2e35 3622 2f3e 14.27,-601.56\"/>\n+00029a60: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00029a70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00029a80: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00029a90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00029aa0: 696e 6561 7261 6c67 6562 7261 202d 2d3e inearalgebra -->\n+00029ab0: 0a3c 6720 6964 3d22 6564 6765 3238 3822 .<g id=\"edge288\"\n+00029ac0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00029ad0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00029ae0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00029af0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00029b00: 635f 6772 6f6d 6163 735f 6c69 6e65 6172 c_gromacs_linear\n+00029b10: 616c 6765 6272 613c 2f74 6974 6c65 3e0a algebra.\n+00029b20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00029c30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+00029ca0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00029cb0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00029cc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00029cd0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n+00029ce0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n+00029e50: 6720 6964 3d22 6564 6765 3237 3622 2063 g id=\"edge276\" c\n+00029e60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00029e80: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00029e90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00029ea0: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n+00029eb0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modu\n+0002a2f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0002a300: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+0002a310: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002a320: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+0002a330: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002a340: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0002a350: 2220 643d 224d 3136 3435 2e31 382c 2d36 \" d=\"M1645.18,-6\n+0002a360: 3638 2e37 3643 3136 3632 2e38 322c 2d36 68.76C1662.82,-6\n+0002a370: 3737 2e39 3120 3136 3839 2e34 332c 2d36 77.91 1689.43,-6\n+0002a380: 3932 2e34 3820 3137 3131 2c2d 3730 372e 92.48 1711,-707.\n+0002a390: 3537 2031 3736 312e 3539 2c2d 3734 322e 57 1761.59,-742.\n+0002a3a0: 3934 2031 3736 312e 3331 2c2d 3737 302e 94 1761.31,-770.\n+0002a3b0: 3639 2031 3831 372c 2d37 3937 2e33 3120 69 1817,-797.31 \n+0002a3c0: 3138 3838 2e33 392c 2d38 3331 2e34 3320 1888.39,-831.43 \n+0002a3d0: 3139 3831 2e39 332c 2d38 3431 2e35 3220 1981.93,-841.52 \n+0002a3e0: 3230 3332 2e39 322c 2d38 3434 2e35 222f 2032.92,-844.5\"/\n+0002a3f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >....<\n+0002a4b0: 6720 6964 3d22 6564 6765 3237 3022 2063 g id=\"edge270\" c\n+0002a4c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002a4e0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0002a4f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002a500: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib.....\n+0002a6c0: 3c67 2069 643d 2265 6467 6532 3633 2220 .module_src_\n+0002a6f0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0002a700: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002a710: 5f67 726f 6d61 6373 5f73 7761 703c 2f74 _gromacs_swap....<\n+0002a820: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002a830: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0002a840: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002a850: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d gromacs_nbnxm --\n+0002a860: 3e0a 3c67 2069 643d 2265 6467 6532 3835 >..\n+0002a880: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0002a890: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0002a8a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002a8b0: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+0002a8c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0002aa60: 0a3c 6720 6964 3d22 6564 6765 3237 3722 ..<\n+0002aa80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002aa90: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+0002aaa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002aab0: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+0002aac0: 673c 2f74 6974 6c65 3e0a 3c70 6174 6820 g.....\n+0002ac50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0002ac60: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0002ac70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002ac80: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+0002ac90: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons..\n+0002ae30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0002aea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002aeb0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+0002aec0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002aed0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+0002aee0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002aef0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0002af00: 6663 6322 2064 3d22 4d31 3631 322e 352c fcc\" d=\"M1612.5,\n+0002af10: 2d36 3436 4331 3538 382e 3036 2c2d 3632 -646C1588.06,-62\n+0002af20: 302e 3939 2031 3533 362e 322c 2d35 3539 0.99 1536.2,-559\n+0002af30: 2e34 3120 3134 3833 2c2d 3531 382e 3936 .41 1483,-518.96\n+0002af40: 2031 3435 362e 342c 2d34 3938 2e37 3420 1456.4,-498.74 \n+0002af50: 3134 3338 2e37 332c 2d35 3038 2e33 3520 1438.73,-508.35 \n+0002af60: 3134 3137 2c2d 3438 322e 3936 2031 3430 1417,-482.96 140\n+0002af70: 342e 3233 2c2d 3436 382e 3034 2031 3339 4.23,-468.04 139\n+0002af80: 372e 3333 2c2d 3434 362e 3634 2031 3339 7.33,-446.64 139\n+0002af90: 352e 3233 2c2d 3433 302e 3436 222f 3e0a 5.23,-430.46\"/>.\n+0002afa0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0002afb0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+0002afc0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+0002afd0: 2231 3339 382e 372c 2d34 3239 2e39 3720 \"1398.7,-429.97 \n+0002afe0: 3133 3934 2e35 332c 2d34 3230 2e32 3320 1394.53,-420.23 \n+0002aff0: 3133 3931 2e37 322c 2d34 3330 2e34 3520 1391.72,-430.45 \n+0002b000: 3133 3938 2e37 2c2d 3432 392e 3937 222f 1398.7,-429.97\"/\n+0002b010: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0002b020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0002b030: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+0002b040: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002b050: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n+0002b060: 3c67 2069 643d 2265 6467 6532 3636 2220 <g id=\"edge266\" \n+0002b070: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0002b080: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0002b090: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0002b0a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002b0b0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+0002b0c0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line...\n+0002b260: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0002b2d0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0002b2e0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+0002b2f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+0002b300: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld...\n+0002b430: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0002b4a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0002b4b0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+0002b4c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+0002b4d0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+0002b4e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002b4f0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0002b500: 224d 3136 3231 2e36 332c 2d36 3731 2e36 \"M1621.63,-671.6\n+0002b510: 3243 3136 3134 2e37 352c 2d36 3931 2e39 2C1614.75,-691.9\n+0002b520: 3920 3136 3031 2e37 2c2d 3733 332e 3820 9 1601.7,-733.8 \n+0002b530: 3135 3937 2c2d 3737 302e 3434 2031 3538 1597,-770.44 158\n+0002b540: 342e 3632 2c2d 3836 372e 3036 2031 3539 4.62,-867.06 159\n+0002b550: 352e 3735 2c2d 3839 372e 3638 2031 3633 5.75,-897.68 163\n+0002b560: 372c 2d39 3835 2e39 3220 3136 3531 2e30 7,-985.92 1651.0\n+0002b570: 332c 2d31 3031 352e 3932 2031 3635 322e 3,-1015.92 1652.\n+0002b580: 3036 2c2d 3130 3237 2031 3637 372c 2d31 06,-1027 1677,-1\n+0002b590: 3034 382e 3739 2031 3639 372e 3834 2c2d 048.79 1697.84,-\n+0002b5a0: 3130 3637 2031 3732 362e 3639 2c2d 3130 1067 1726.69,-10\n+0002b5b0: 3739 2e36 3520 3137 3438 2e38 382c 2d31 79.65 1748.88,-1\n+0002b5c0: 3038 372e 3434 222f 3e0a 3c70 6f6c 7967 087.44\"/>...<\n+0002b640: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002b650: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0002b660: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002b670: 6772 6f6d 6163 735f 7469 6d69 6e67 202d gromacs_timing -\n+0002b680: 2d3e 0a3c 6720 6964 3d22 6564 6765 3237 ->.\n+0002b6a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0002b6b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0002b6c0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002b6d0: 7372 635f 6772 6f6d 6163 735f 7469 6d69 src_gromacs_timi\n+0002b6e0: 6e67 3c2f 7469 746c 653e 0a3c 7061 7468 ng..\n+0002b7f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+0002b870: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0002b880: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002b890: 6f6d 6163 735f 7265 7374 7261 696e 743c omacs_restraint<\n+0002b8a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+0002b9d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002b9e0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0002b9f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002ba00: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+0002ba10: 696d 756c 6174 6f72 202d 2d3e 0a3c 6720 imulator -->..module_src_gro\n+0002ba50: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0002ba60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002ba70: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002ba80: 756c 6174 6f72 3c2f 7469 746c 653e 0a3c ulator.<\n+0002ba90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002baa0: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+0002bab0: 224d 3136 3531 2e34 372c 2d36 3635 2e39 \"M1651.47,-665.9\n+0002bac0: 3943 3137 3139 2e31 342c 2d36 3835 2e36 9C1719.14,-685.6\n+0002bad0: 3420 3139 3033 2e30 352c 2d37 3432 2e34 4 1903.05,-742.4\n+0002bae0: 3120 3139 3835 2e33 362c 2d37 3638 2e39 1 1985.36,-768.9\n+0002baf0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.....module_src_gr\n+0002bbe0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0002bbf0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0002bc00: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+0002bc10: 6e6d 656e 743c 2f74 6974 6c65 3e0a 3c70 nment...<\n+0002bcf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gr\n+0002bd70: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0002bd80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0002bd90: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0002bda0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....<\n+0002be90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002bea0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0002beb0: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->..mo\n+0002bee0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0002bef0: 5f61 7070 6c69 6564 5f66 6f72 6365 733c _applied_forces<\n+0002bf00: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n+0002bf10: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0002bf20: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+0002bf30: 783d 2237 3333 2220 6379 3d22 2d35 3935 x=\"733\" cy=\"-595\n+0002bf40: 2e32 3722 2072 783d 2235 362e 3634 2220 .27\" rx=\"56.64\" \n+0002bf50: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+0002bf60: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+0002bf70: 6d69 6464 6c65 2220 783d 2237 3333 2220 middle\" x=\"733\" \n+0002bf80: 793d 222d 3539 322e 3737 2220 666f 6e74 y=\"-592.77\" font\n+0002bf90: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+0002bfa0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+0002bfb0: 2e30 3022 3e61 7070 6c69 6564 5f66 6f72 .00\">applied_for\n+0002bfc0: 6365 733c 2f74 6578 743e 0a3c 2f67 3e0a ces</text>.</g>.\n+0002bfd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0002bfe0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+0002bff0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002c000: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0002c010: 5f66 6f72 6365 7320 2d2d 3e0a 3c67 2069 _forces -->.<g i\n+0002c020: 643d 2265 6467 6532 3630 2220 636c 6173 d=\"edge260\" clas\n+0002c030: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0002c040: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0002c050: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+0002c060: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002c070: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+0002c080: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces..\n+0002c0f0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....module_src_gr\n+0002c1d0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0002c1e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0002c1f0: 726f 6d61 6373 5f69 6d64 3c2f 7469 746c romacs_imd.....<\n+0002c340: 6720 6964 3d22 6564 6765 3238 3122 2063 g id=\"edge281\" c\n+0002c350: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002c370: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0002c380: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002c390: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random..\n+0002c450: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+0002c4c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n+0002c540: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0002c550: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0002c560: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0002c570: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0002c660: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n+0002c940: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002c950: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0002c960: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002c970: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils....\n+0002cb50: 0a3c 6720 6964 3d22 6564 6765 3330 3422 ..<\n+0002cb70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002cb80: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0002cb90: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0002cba0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002cbb0: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat...<\n+0002cd10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+0002cd60: 0a3c 6720 6964 3d22 6564 6765 3331 3122 ..<\n+0002cd80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002cd90: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0002cda0: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0002cdb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002cdc0: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math..<\n+0002cee0: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+0002cef0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+0002cf00: 636b 2220 706f 696e 7473 3d22 3134 3436 ck\" points=\"1446\n+0002cf10: 2e31 352c 2d31 3230 332e 3320 3134 3430 .15,-1203.3 1440\n+0002cf20: 2e33 362c 2d31 3231 322e 3137 2031 3435 .36,-1212.17 145\n+0002cf30: 302e 3432 2c2d 3132 3038 2e38 3520 3134 0.42,-1208.85 14\n+0002cf40: 3436 2e31 352c 2d31 3230 332e 3322 2f3e 46.15,-1203.3\"/>\n+0002cf50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+0002cfd0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0002cfe0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+0002cff0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002d000: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0002d010: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_gr\n+0002d1d0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002d1e0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0002d1f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d200: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+0002d210: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module\n+0002d670: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+0002d680: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+0002d690: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002d6a0: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n+0002d6b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0002d6c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0002d6d0: 2272 6564 2220 643d 224d 3139 3638 2e35 \"red\" d=\"M1968.5\n+0002d6e0: 352c 2d37 3737 2e35 3143 3138 3831 2e32 5,-777.51C1881.2\n+0002d6f0: 352c 2d37 3637 2e34 2031 3731 322e 3032 5,-767.4 1712.02\n+0002d700: 2c2d 3734 302e 3031 2031 3538 362c 2d36 ,-740.01 1586,-6\n+0002d710: 3731 2e35 3720 3135 3730 2e35 362c 2d36 71.57 1570.56,-6\n+0002d720: 3633 2e31 3820 3135 3730 2e33 312c 2d36 63.18 1570.31,-6\n+0002d730: 3536 2e31 3720 3135 3537 2c2d 3634 342e 56.17 1557,-644.\n+0002d740: 3720 3135 3337 2e35 392c 2d36 3237 2e39 7 1537.59,-627.9\n+0002d750: 3920 3135 3239 2e37 392c 2d36 3237 2e31 9 1529.79,-627.1\n+0002d760: 3220 3135 3132 2c2d 3630 382e 3720 3135 2 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6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002d860: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0002d870: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d880: 735f 7062 6375 7469 6c20 2d2d 3e0a 3c67 s_pbcutil -->.<g\n+0002d890: 2069 643d 2265 6467 6533 3037 2220 636c id=\"edge307\" cl\n+0002d8a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0002d8b0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0002d8c0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002d8d0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0002d8e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002d8f0: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil</title\n+0002d900: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002d910: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0002d920: 6662 6622 2064 3d22 4d32 3038 382e 392c fbf\" d=\"M2088.9,\n+0002d930: 2d37 3830 2e34 3243 3232 3130 2e31 372c 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6c69 623c 2f74 romacs_gmxlib</t\n+0002dce0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0002dcf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0002dd00: 2362 6662 6662 6622 2064 3d22 4d32 3036 #bfbfbf\" d=\"M206\n+0002dd10: 362e 3639 2c2d 3737 332e 3331 4332 3039 6.69,-773.31C209\n+0002dd20: 392e 3538 2c2d 3736 342e 3934 2032 3134 9.58,-764.94 214\n+0002dd30: 362e 3732 2c2d 3735 312e 3435 2032 3138 6.72,-751.45 218\n+0002dd40: 362c 2d37 3334 2e34 3420 3232 3831 2e33 6,-734.44 2281.3\n+0002dd50: 322c 2d36 3933 2e31 3720 3233 3131 2e31 2,-693.17 2311.1\n+0002dd60: 332c 2d36 3833 2e36 3920 3233 3833 2c2d 3,-683.69 2383,-\n+0002dd70: 3630 382e 3720 3234 3036 2e30 382c 2d35 608.7 2406.08,-5\n+0002dd80: 3834 2e36 3220 3234 3134 2e34 392c 2d35 84.62 2414.49,-5\n+0002dd90: 3737 2e38 3120 3234 3234 2c2d 3534 352e 77.81 2424,-545.\n+0002dda0: 3833 2032 3432 372e 342c 2d35 3334 2e33 83 2427.4,-534.3\n+0002ddb0: 3820 3234 3234 2e33 382c 2d35 3330 2e39 8 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353b arsimulator-\n+0002df90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0002dfa0: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm</ti\n+0002dfb0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0002dfc0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0002dfd0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0002dfe0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0002dff0: 3d22 4d32 3031 382e 3437 2c2d 3737 302e =\"M2018.47,-770.\n+0002e000: 3137 4332 3030 332e 3838 2c2d 3734 352e 17C2003.88,-745.\n+0002e010: 3638 2031 3937 302e 3539 2c2d 3639 302e 68 1970.59,-690.\n+0002e020: 3320 3139 3431 2c2d 3634 342e 3720 3139 3 1941,-644.7 19\n+0002e030: 3232 2e35 372c 2d36 3136 2e33 2031 3932 22.57,-616.3 192\n+0002e040: 302e 3832 2c2d 3630 362e 3833 2031 3839 0.82,-606.83 189\n+0002e050: 382c 2d35 3831 2e38 3320 3138 3638 2e34 8,-581.83 1868.4\n+0002e060: 352c 2d35 3439 2e34 3520 3138 3537 2e36 5,-549.45 1857.6\n+0002e070: 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3b26 6774 3b6d ulator->m\n+0002e160: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002e170: 735f 7075 6c6c 696e 6720 2d2d 3e0a 3c67 s_pulling -->.<g\n+0002e180: 2069 643d 2265 6467 6533 3039 2220 636c id=\"edge309\" cl\n+0002e190: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0002e1a0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0002e1b0: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0002e1c0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+0002e1d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002e1e0: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling</title\n+0002e1f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0002e200: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0002e210: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0002e220: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0002e230: 3230 3930 2e31 332c 2d37 3831 2e32 4332 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342c 2d33 3833 2e31 3620 3236 3239 .14,-383.16 2629\n+0002e330: 2e35 322c 2d33 3733 2e31 3520 3236 3233 .52,-373.15 2623\n+0002e340: 2e39 312c 2d33 3634 2e38 3622 2f3e 0a3c .91,-364.86\"/>.<\n+0002e350: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0002e360: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0002e370: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0002e380: 3236 3236 2e36 362c 2d33 3632 2e36 3820 2626.66,-362.68 \n+0002e390: 3236 3137 2e39 362c 2d33 3536 2e36 3220 2617.96,-356.62 \n+0002e3a0: 3236 3230 2e39 382c 2d33 3636 2e37 3820 2620.98,-366.78 \n+0002e3b0: 3236 3236 2e36 362c 2d33 3632 2e36 3822 2626.66,-362.68\"\n+0002e3c0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0002e3d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002e3e0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+0002e3f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002e400: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0002e410: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n+0002e420: 6765 3239 3222 2063 6c61 7373 3d22 6564 ge292\" class=\"ed\n+0002e430: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0002e440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0002e450: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0002e460: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002e470: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0002e480: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c...<\n+0002e610: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+0002e690: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0002e6a0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+0002e6b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0002e6c0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+0002e6d0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+0002e6e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+0002e8f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0002e900: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+0002e910: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0002e920: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+0002e930: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+0002ea90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0002eaa0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+0002eab0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+0002eac0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002ead0: 6373 5f75 7469 6c69 7479 202d 2d3e 0a3c cs_utility -->.<\n+0002eae0: 6720 6964 3d22 6564 6765 3330 3322 2063 g id=\"edge303\" c\n+0002eaf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0002eb10: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+0002eb20: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+0002eb30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002eb40: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility....\n+0002ecd0: 0a3c 6720 6964 3d22 6564 6765 3330 3122 ..<\n+0002ecf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0002ed00: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+0002ed10: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+0002ed20: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0002ed30: 6d61 6373 5f74 696d 696e 673c 2f74 6974 macs_timing......m\n+0002ef20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0002ef30: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0002ef40: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+0002ef50: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0002ef60: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run.\n+0002efd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+0002f040: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0002f0c0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0002f0d0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+0002f0e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0002f0f0: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+0002f100: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+0002f110: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0002f120: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0002f130: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0002f140: 6179 3d22 352c 3222 2064 3d22 4d32 3034 ay=\"5,2\" d=\"M204\n+0002f150: 322e 3939 2c2d 3737 302e 3835 4332 3035 2.99,-770.85C205\n+0002f160: 352e 3536 2c2d 3736 312e 3936 2032 3037 5.56,-761.96 207\n+0002f170: 322e 3837 2c2d 3734 392e 3720 3230 3837 2.87,-749.7 2087\n+0002f180: 2e30 312c 2d37 3339 2e36 3922 2f3e 0a3c .01,-739.69\"/>.<\n+0002f190: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0002f1a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0002f1b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0002f1c0: 3230 3839 2e32 2c2d 3734 322e 3433 2032 2089.2,-742.43 2\n+0002f1d0: 3039 352e 3334 2c2d 3733 332e 3820 3230 095.34,-733.8 20\n+0002f1e0: 3835 2e31 352c 2d37 3336 2e37 3220 3230 85.15,-736.72 20\n+0002f1f0: 3839 2e32 2c2d 3734 322e 3433 222f 3e0a 89.2,-742.43\"/>.\n+0002f200: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+0002f280: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+0002f290: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+0002f2a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0002f2b0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+0002f2c0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0002f2d0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0002f2e0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+0002f2f0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0002f300: 3d22 4d32 3039 302e 3234 2c2d 3738 312e 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6d6f lator->mo\n 0002f4e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0002f4f0: 5f74 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 _topology -->.<g\n-0002f500: 2069 643d 2265 6467 6533 3131 2220 636c id=\"edge311\" cl\n-0002f510: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0002f520: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0002f530: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-0002f540: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0002f550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002f560: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n-0002f570: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....\n-0002f6a0: 3c67 2069 643d 2265 6467 6533 3030 2220 .module_src_\n-0002f6d0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0002f6e0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-0002f6f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0002f700: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-0002f710: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0002f820: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-0002fc90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0002fca0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0002fcb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0002fcc0: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-0002fcd0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-0002feb0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-0002fec0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-0002fed0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0002fee0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-0002fef0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module_src_gr\n-000300d0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000300e0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-000300f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00030100: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald..\n-00030230: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_\n-000302b0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-000302c0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-000302d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000302e0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n-000302f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00030300: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00030310: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00030320: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00030330: 643d 224d 3234 3739 2e32 362c 2d37 3133 d=\"M2479.26,-713\n-00030340: 2e31 3943 3234 3932 2e30 392c 2d37 3131 .19C2492.09,-711\n-00030350: 2e33 3420 3235 3036 2e30 312c 2d37 3039 .34 2506.01,-709\n-00030360: 2e33 3520 3235 3138 2e38 362c 2d37 3037 .35 2518.86,-707\n-00030370: 2e35 3720 3236 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2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00030e20: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00030e30: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types...<\n-00031020: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n-00031090: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-000310a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000310b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-000310c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n-00031290: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n-00031350: 0a3c 6720 6964 3d22 6564 6765 3332 3422 ..<\n-00031370: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00031380: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n-00031390: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000313a0: 6772 6f6d 6163 735f 746f 706f 6c6f 6779 gromacs_topology\n-000313b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-00031560: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00031570: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n-00031580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00031590: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-000315a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000315b0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000315c0: 2220 643d 224d 3231 3937 2e38 392c 2d39 \" d=\"M2197.89,-9\n-000315d0: 3230 2e31 4332 3236 362e 3132 2c2d 3935 20.1C2266.12,-95\n-000315e0: 382e 3039 2032 3531 392e 3934 2c2d 3130 8.09 2519.94,-10\n-000315f0: 3939 2e34 3420 3236 3032 2e36 332c 2d31 99.44 2602.63,-1\n-00031600: 3134 352e 3439 222f 3e0a 3c70 6f6c 7967 145.49\"/>.\n-00031680: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-000316f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00031700: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n-00031710: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-00031720: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..<\n-000317b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000317c0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-000317d0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000317e0: 3138 3132 2e35 332c 2d39 3632 2e32 3420 1812.53,-962.24 \n-000317f0: 3138 3033 2e31 322c 2d39 3637 2e31 3120 1803.12,-967.11 \n-00031800: 3138 3133 2e35 312c 2d39 3639 2e31 3820 1813.51,-969.18 \n-00031810: 3138 3132 2e35 332c 2d39 3632 2e32 3422 1812.53,-962.24\"\n-00031820: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...<\n-00031870: 6720 6964 3d22 6564 6765 3331 3522 2063 g id=\"edge315\" c\n-00031880: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000318a0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-000318b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000318c0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-000318d0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e...<\n-00031a00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-00031a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n-00031a80: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n-00031a90: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-00031aa0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility...<\n-00031cc0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00031d30: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-00031d40: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-00031d50: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n-00031d60: 696e 673c 2f74 6974 6c65 3e0a 3c70 6174 ing......module\n-00031f20: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-00031f30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00031f40: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00031f50: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n-00031f60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n-000320d0: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n-000320e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000320f0: 6d61 6373 5f70 6263 7574 696c 3c2f 7469 macs_pbcutil....\n-00032270: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-00032480: 6720 6964 3d22 6564 6765 3332 3722 2063 g id=\"edge327\" c\n-00032490: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000324b0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-000324c0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000324d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-000324e0: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n-000324f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n-00032670: 6720 6964 3d22 6564 6765 3332 3522 2063 g id=\"edge325\" c\n-00032680: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-000326a0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-000326b0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000326c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-000326d0: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions.<\n-000326e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000326f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00032700: 2220 643d 224d 3338 3536 2e33 312c 2d37 \" d=\"M3856.31,-7\n-00032710: 3037 2e36 3943 3338 3736 2e33 2c2d 3638 07.69C3876.3,-68\n-00032720: 362e 3138 2033 3931 372e 3733 2c2d 3634 6.18 3917.73,-64\n-00032730: 312e 3620 3339 3431 2e36 382c 2d36 3135 1.6 3941.68,-615\n-00032740: 2e38 3222 2f3e 0a3c 706f 6c79 676f 6e20 .82\"/>...<\n-000327c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000327d0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-000327e0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000327f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00032800: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->..\n-00032830: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00032840: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n-00032850: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00032860: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-00032870: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......\n-00032c90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00032ca0: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n-00032cb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00032cc0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-00032cd0: 6374 6f72 793c 2f74 6974 6c65 3e0a 3c70 ctory...\n-00032de0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n-00032ff0: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n-00033000: 6e64 6f6d 2623 3435 3b26 6774 3b6d 6f64 ndom->mod\n-00033010: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00033020: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-00033030: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n-00033200: 6f64 756c 655f 7372 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macs_trajectory&\n-000335a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000335b0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-000335c0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty...<\n-000336f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-00033760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00033770: 6373 5f70 6263 7574 696c 2623 3435 3b26 cs_pbcutil-&\n-00033780: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00033790: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n-000337a0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000337b0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000337c0: 626c 6163 6b22 2073 7472 6f6b 652d 6461 black\" stroke-da\n-000337d0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-000337e0: 224d 3236 3237 2e36 312c 2d35 3435 2e36 \"M2627.61,-545.6\n-000337f0: 3743 3236 3331 2e33 342c 2d35 3631 2e30 7C2631.34,-561.0\n-00033800: 3420 3236 3334 2e34 322c 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5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-000339e0: 6263 7574 696c 2623 3435 3b26 6774 3b6d bcutil->m\n-000339f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00033a00: 735f 6d61 7468 202d 2d3e 0a3c 6720 6964 s_math -->.<g id\n-00033a10: 3d22 6564 6765 3333 3722 2063 6c61 7373 =\"edge337\" class\n-00033a20: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0002f4f0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+0002f500: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0002f510: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0002f520: 6662 6662 6622 2064 3d22 4d32 3039 302e fbfbf\" d=\"M2090.\n+0002f530: 3138 2c2d 3738 312e 3239 4332 3338 372e 18,-781.29C2387.\n+0002f540: 3038 2c2d 3737 332e 3535 2033 3631 332c 08,-773.55 3613,\n+0002f550: 2d37 3336 2e38 3620 3336 3133 2c2d 3635 -736.86 3613,-65\n+0002f560: 392e 3134 2033 3631 332c 2d36 3539 2e31 9.14 3613,-659.1\n+0002f570: 3420 3336 3133 2c2d 3635 392e 3134 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modu\n+0002f660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0002f670: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+0002f680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002f690: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+0002f6a0: 6c73 202d 2d3e 0a3c 6720 6964 3d22 6564 ls -->.<g id=\"ed\n+0002f6b0: 6765 3331 3522 2063 6c61 7373 3d22 6564 ge315\" class=\"ed\n+0002f6c0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0002f6d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0002f6e0: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+0002f6f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0002f700: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+0002f710: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls...<\n+0002f840: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n+0002fb10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0002fb20: 6373 5f74 6173 6b61 7373 6967 6e6d 656e 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7263 5;>module_src\n+0002fd00: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+0002fd10: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......module_src_gro\n+000300d0: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+000300e0: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+000300f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+00030100: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n+00030110: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+00030290: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000302a0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+000302b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000302c0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000302d0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......\n+000304e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000304f0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00030500: 7426 2334 353b 2667 743b 6d6f 6475 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s_mdrunutility&#\n+00030f60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00030f70: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00030f80: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n+000310c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n+00031140: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00031150: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00031160: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00031170: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n+00031180: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00031190: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000311a0: 2220 643d 224d 3231 3033 2e32 2c2d 3730 \" d=\"M2103.2,-70\n+000311b0: 372e 3633 4332 3039 362e 3632 2c2d 3639 7.63C2096.62,-69\n+000311c0: 382e 3035 2032 3038 372e 3634 2c2d 3638 8.05 2087.64,-68\n+000311d0: 342e 3332 2032 3038 312c 2d36 3731 2e35 4.32 2081,-671.5\n+000311e0: 3720 3230 3631 2e30 372c 2d36 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71\"/>.....mod\n+000313b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000313c0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+000313d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000313e0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+000313f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00031400: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00031410: 2223 6266 6266 6266 2220 643d 224d 3231 \"#bfbfbf\" d=\"M21\n+00031420: 3135 2e34 382c 2d37 3334 2e35 3143 3231 15.48,-734.51C21\n+00031430: 3139 2e30 392c 2d37 3439 2e38 3820 3231 19.09,-749.88 21\n+00031440: 3233 2e31 382c 2d37 3736 2e34 3920 3231 23.18,-776.49 21\n+00031450: 3135 2c2d 3739 372e 3331 2032 3131 302e 15,-797.31 2110.\n+00031460: 3236 2c2d 3830 392e 3337 2032 3130 302e 26,-809.37 2100.\n+00031470: 3935 2c2d 3832 302e 3232 2032 3039 322e 95,-820.22 2092.\n+00031480: 3032 2c2d 3832 382e 3537 222f 3e0a 3c70 02,-828.57\"/>.<p\n+00031490: 6f6c 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7372 <title>module_sr\n+00031580: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00031590: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n+000315a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000315b0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+000315c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+00031a50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00031a60: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+00031a70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00031a80: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n+00031a90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00031aa0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00031ab0: 3d22 2332 3832 6663 6322 2064 3d22 4d32 =\"#282fcc\" d=\"M2\n+00031ac0: 3131 352e 3634 2c2d 3733 342e 3532 4332 115.64,-734.52C2\n+00031ad0: 3131 392e 3532 2c2d 3734 392e 3436 2032 119.52,-749.46 2\n+00031ae0: 3132 342e 3737 2c2d 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655f 7372 635f 6772 -- module_src_gr\n+00031f70: 6f6d 6163 735f 7369 6d64 2623 3435 3b26 omacs_simd-&\n+00031f80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00031f90: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n+00031fa0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3333 ->.<g id=\"edge33\n+00031fb0: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+00031fc0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00031fd0: 7263 5f67 726f 6d61 6373 5f73 696d 6426 rc_gromacs_simd&\n+00031fe0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00031ff0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+00032000: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......module_src_gro\n+00032160: 6d61 6373 5f73 696d 6426 2334 353b 2667 macs_simd-&g\n+00032170: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00032180: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options..<\n+00032210: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon 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7326 2334 353b 2667 yanalysis-&g\n+00032540: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00032550: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+00032560: 7373 3c2f 7469 746c 653e 0a3c 7061 7468 ss......module_src_gro\n+00032720: 6d61 6373 5f74 7261 6a65 6374 6f72 7961 macs_trajectorya\n+00032730: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n+00032740: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00032750: 6373 5f73 656c 6563 7469 6f6e 3c2f 7469 cs_selection.\n+00032800: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+000328d0: 6720 6964 3d22 6564 6765 3334 3622 2063 g id=\"edge346\" c\n+000328e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00032900: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00032910: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+00032920: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00032930: 6d61 6373 5f73 7461 7469 7374 6963 733c macs_statistics<\n+00032940: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_grom\n+00032ad0: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00032ae0: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00032af0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00032b00: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology..\n+00032bb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n+00032cb0: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00032cc0: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00032cd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00032ce0: 735f 7062 6375 7469 6c3c 2f74 6974 6c65 s_pbcutil......module_src_grom\n+00032f50: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00032f60: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00032f70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00032f80: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+00032f90: 0a3c 7061 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itle>module_src_\n+00033c20: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00033c30: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+00033c40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00033c50: 6f6d 6163 735f 636f 6f72 6469 6e61 7465 omacs_coordinate\n+00033c60: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io..<\n+00033cf0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00033d00: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00033d10: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00033d20: 3137 3736 2e38 362c 2d31 3432 312e 3933 1776.86,-1421.93\n+00033d30: 2031 3736 362e 332c 2d31 3432 322e 3831 1766.3,-1422.81\n+00033d40: 2031 3737 352e 3131 2c2d 3134 3238 2e37 1775.11,-1428.7\n+00033d50: 2031 3737 362e 3836 2c2d 3134 3231 2e39 1776.86,-1421.9\n+00033d60: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 3\"/>....\n+00033de0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00033df0: 6373 5f74 7261 6a65 6374 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class=\"edge\">.<t\n-00034360: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00034370: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n-00034380: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00034390: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n-000343a0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils.....<\n-00034530: 6720 6964 3d22 6564 6765 3334 3422 2063 g id=\"edge344\" c\n-00034540: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00034560: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00034570: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00034580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00034590: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-000345a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-00034700: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-00034710: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-00034720: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00034730: 6d61 6373 5f6d 6174 683c 2f74 6974 6c65 macs_math</title\n-00034740: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00034750: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00034760: 6662 6622 2064 3d22 4d32 3238 362e 312c fbf\" d=\"M2286.1,\n-00034770: 2d31 3630 302e 3335 4332 3135 322e 3939 -1600.35C2152.99\n-00034780: 2c2d 3135 3939 2e39 2031 3831 382e 3539 ,-1599.9 1818.59\n-00034790: 2c2d 3135 3934 2e32 3320 3135 3432 2e38 ,-1594.23 1542.8\n-000347a0: 362c 2d31 3535 312e 3735 2031 3432 392e 6,-1551.75 1429.\n-000347b0: 322c 2d31 3533 342e 3234 2031 3430 322e 2,-1534.24 1402.\n-000347c0: 3536 2c2d 3135 3230 2e30 3320 3132 3931 56,-1520.03 1291\n-000347d0: 2e38 362c 2d31 3438 382e 3838 2031 3230 .86,-1488.88 120\n-000347e0: 312e 3736 2c2d 3134 3633 2e35 3320 3131 1.76,-1463.53 11\n-000347f0: 3436 2e38 392c 2d31 3530 302e 3939 2031 46.89,-1500.99 1\n-00034800: 3039 302e 3836 2c2d 3134 3236 2e30 3120 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\"#bfbfbf\" stroke\n-000349e0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-000349f0: 733d 2231 3835 362e 3134 2c2d 3336 352e s=\"1856.14,-365.\n-00034a00: 3032 2031 3836 312e 3139 2c2d 3335 352e 02 1861.19,-355.\n-00034a10: 3720 3138 3531 2e34 332c 2d33 3539 2e38 7 1851.43,-359.8\n-00034a20: 3420 3138 3536 2e31 342c 2d33 3635 2e30 4 1856.14,-365.0\n-00034a30: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-00034a40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00034a50: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00034a60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00034a70: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-00034a80: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n-00034a90: 6964 3d22 6564 6765 3336 3022 2063 6c61 id=\"edge360\" cla\n-00034aa0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00034ab0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00034ac0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00034ad0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00034ae0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-00034af0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n-00034b00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00034b10: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00034b20: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00034b30: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00034b40: 224d 3232 3836 2e31 312c 2d31 3630 302e \"M2286.11,-1600.\n-00034b50: 3131 4332 3033 362e 3734 2c2d 3135 3939 11C2036.74,-1599\n-00034b60: 2e31 3820 3130 3734 2e38 332c 2d31 3538 .18 1074.83,-158\n-00034b70: 392e 3037 2039 3839 2e38 362c 2d31 3438 9.07 989.86,-148\n-00034b80: 382e 3838 2039 3133 2e38 372c 2d31 3339 8.88 913.87,-139\n-00034b90: 392e 3238 2039 3734 2e38 362c 2d31 3334 9.28 974.86,-134\n-00034ba0: 322e 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2f3e 6.19,-1043.69\"/>\n-00034c90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00034ca0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00034cb0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00034cc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00034cd0: 726f 6d61 6373 5f6d 646c 6962 202d 2d3e romacs_mdlib -->\n-00034ce0: 0a3c 6720 6964 3d22 6564 6765 3335 3222 .<g id=\"edge352\"\n-00034cf0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00034d00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00034d10: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00034d20: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00034d30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00034d40: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-00034d50: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-00034ee0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00034ef0: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+00033fc0: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n+00033fd0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+00033fe0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00033ff0: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964 gmxana -->.<g id\n+00034000: 3d22 6564 6765 3334 3822 2063 6c61 7373 =\"edge348\" class\n+00034010: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00034020: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00034030: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00034040: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00034050: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034060: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n+00034070: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+00034170: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00034180: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00034190: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000341a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000341b0: 6d61 6373 5f74 7261 6a65 6374 6f72 7920 macs_trajectory \n+000341c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->..module_\n+000341f0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00034200: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+00034210: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00034220: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+00034230: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory....<\n+00034410: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00034420: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00034430: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00034440: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034450: 5f67 6d78 7072 6570 726f 6365 7373 202d _gmxpreprocess -\n+00034460: 2d3e 0a3c 6720 6964 3d22 6564 6765 3336 ->.\n+00034480: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00034490: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+000344a0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+000344b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000344c0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+000344d0: 7373 3c2f 7469 746c 653e 0a3c 7061 7468 ss...\n+00034630: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+000346b0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+000346c0: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n+000346d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000346e0: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+000346f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000347f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00034800: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00034810: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00034820: 3136 3235 2e38 392c 2d31 3334 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3133 3839 2e32 372c 2d31 3232 342e 3134 1389.27,-1224.14\n+00034a70: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00034a80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00034a90: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00034aa0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00034ab0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00034ac0: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00034ad0: 6765 3335 3122 2063 6c61 7373 3d22 6564 ge351\" class=\"ed\n+00034ae0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00034af0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00034b00: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00034b10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00034b20: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00034b30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gro\n+00034cf0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+00034d00: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00034d10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00034d20: 6f70 6f6c 6f67 793c 2f74 6974 6c65 3e0a opology.\n+00034d30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+00034df0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00034e00: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00034e10: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00034e20: 3134 3836 2e35 342c 2d31 3238 382e 3735 1486.54,-1288.75\n+00034e30: 2031 3439 362e 3539 2c2d 3132 3835 2e33 1496.59,-1285.3\n+00034e40: 3920 3134 3836 2e36 342c 2d31 3238 312e 9 1486.64,-1281.\n+00034e50: 3736 2031 3438 362e 3534 2c2d 3132 3838 76 1486.54,-1288\n+00034e60: 2e37 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .75\"/>....mod\n+00034ee0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00034ef0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n 00034f00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00034f10: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n-00034f20: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy..\n-000351c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n-00035450: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00035460: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00035470: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-00035480: 6c6c 696e 673c 2f74 6974 6c65 3e0a 3c70 lling...\n-000356e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n-000359e0: 6720 6964 3d22 6564 6765 3336 3222 2063 g id=\"edge362\" c\n-000359f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00035a10: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00035a20: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00035a30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00035a40: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00035a50: 7061 7468 2066 696c 6c3d 226e 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3e0a 3c70 6174 ine......module_src_gro\n-000361c0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-000361d0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-000361e0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-000361f0: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald...\n-00036410: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n-00036490: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-000364a0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-000364b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-000364c0: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-000364d0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000364e0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000364f0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00036500: 6179 3d22 352c 3222 2064 3d22 4d32 3238 ay=\"5,2\" d=\"M228\n-00036510: 362e 3435 2c2d 3135 3939 2e33 4332 3034 6.45,-1599.3C204\n-00036520: 312e 3536 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581.83 665.38,-5\n-00036610: 3530 2e34 3120 3637 372e 3238 2c2d 3534 50.41 677.28,-54\n-00036620: 362e 3837 2037 3132 2e38 362c 2d35 3138 6.87 712.86,-518\n-00036630: 2e39 3620 3734 342e 3732 2c2d 3439 332e .96 744.72,-493.\n-00036640: 3937 2039 3731 2e35 382c 2d33 3233 2e33 97 971.58,-323.3\n-00036650: 3320 3939 392e 3836 2c2d 3239 342e 3335 3 999.86,-294.35\n-00036660: 2031 3031 302e 3236 2c2d 3238 332e 3720 1010.26,-283.7 \n-00036670: 3130 3036 2e37 312c 2d32 3734 2e34 3620 1006.71,-274.46 \n-00036680: 3130 3139 2e38 362c 2d32 3637 2e34 3820 1019.86,-267.48 \n-00036690: 3131 3134 2e35 322c 2d32 3137 2e32 3820 1114.52,-217.28 \n-000366a0: 3138 3931 2e33 372c 2d32 3137 2e39 3520 1891.37,-217.95 \n-000366b0: 3230 3734 2e33 362c 2d32 3138 2e38 3122 2074.36,-218.81\"\n-000366c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....modul\n-000367b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000367c0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-000367d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000367e0: 726f 6d61 6373 5f6d 6472 756e 3c2f 7469 romacs_mdrun</ti\n-000367f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00036800: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00036810: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00036820: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00036830: 3d22 4d32 3238 382e 3335 2c2d 3135 3937 =\"M2288.35,-1597\n-00036840: 2e32 3643 3231 3735 2e35 332c 2d31 3539 .26C2175.53,-159\n-00036850: 3120 3139 3236 2e31 382c 2d31 3537 342e 1 1926.18,-1574.\n-00036860: 3937 2031 3834 332e 3836 2c2d 3135 3531 97 1843.86,-1551\n-00036870: 2e37 3520 3137 3530 2e36 342c 2d31 3532 .75 1750.64,-152\n-00036880: 352e 3436 2031 3731 312e 3032 2c2d 3135 5.46 1711.02,-15\n-00036890: 3131 2e37 2031 3636 352e 3836 2c2d 3134 11.7 1665.86,-14\n-000368a0: 3236 2e30 3120 3136 3339 2e34 342c 2d31 26.01 1639.44,-1\n-000368b0: 3337 352e 3839 2031 3634 352e 3331 2c2d 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676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00036e30: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00036e40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-00036e50: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom.....\n-00037630: 3c67 2069 643d 2265 6467 6533 3631 2220 .module_src_\n-00037660: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00037670: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00037680: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00037690: 5f73 656c 6563 7469 6f6e 3c2f 7469 746c _selection..\n-00037860: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00037ac0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00037ad0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-00037ae0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00037af0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-00037b00: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n-00037b10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-00037c40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n-00037c90: 6720 6964 3d22 6564 6765 3336 3522 2063 g id=\"edge365\" c\n-00037ca0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00037cc0: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00037cd0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00037ce0: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n-00037cf0: 6c6f 6779 3c2f 7469 746c 653e 0a3c 7061 logy....<\n-00037e70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00037e80: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00037e90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00037ea0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n-00037eb0: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->..mod\n-00037ee0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00037ef0: 7365 6c65 6374 696f 6e26 2334 353b 2667 selection-&g\n-00037f00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00037f10: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options</ti\n-00037f20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00037f30: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00037f40: 6564 2220 643d 224d 3337 3633 2e34 312c ed\" d=\"M3763.41,\n-00037f50: 2d36 3439 2e31 3843 3338 3034 2e33 372c -649.18C3804.37,\n-00037f60: 2d36 3338 2e31 3520 3338 3738 2e33 382c -638.15 3878.38,\n-00037f70: 2d36 3138 2e32 3120 3339 3232 2e39 332c -618.21 3922.93,\n-00037f80: 2d36 3036 2e32 3122 2f3e 0a3c 706f 6c79 -606.21\"/>.<poly\n-00037f90: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n-00037fa0: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n-00037fb0: 7473 3d22 3339 3234 2e30 332c 2d36 3039 ts=\"3924.03,-609\n-00037fc0: 2e35 3420 3339 3332 2e37 382c 2d36 3033 .54 3932.78,-603\n-00037fd0: 2e35 3620 3339 3232 2e32 312c 2d36 3032 .56 3922.21,-602\n-00037fe0: 2e37 3820 3339 3234 2e30 332c 2d36 3039 .78 3924.03,-609\n-00037ff0: 2e35 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .54\"/>.</g>.<!--\n-00038000: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00038010: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n-00038020: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00038030: 5f67 726f 6d61 6373 5f6f 6e6c 696e 6568 _gromacs_onlineh\n-00038040: 656c 7020 2d2d 3e0a 3c67 2069 643d 2265 elp -->.<g id=\"e\n-00038050: 6467 6533 3637 2220 636c 6173 733d 2265 dge367\" class=\"e\n-00038060: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00038070: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00038080: 7365 6c65 6374 696f 6e26 2334 353b 2667 selection-&g\n-00038090: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000380a0: 6d61 6373 5f6f 6e6c 696e 6568 656c 703c macs_onlinehelp<\n-000380b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-000380c0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000380d0: 3d22 2332 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3b26 _selection-&\n-000381c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000381d0: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n-000381e0: 3e0a 3c67 2069 643d 2265 6467 6533 3636 >.<g id=\"edge366\n-000381f0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00038200: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00038210: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n-00038220: 696f 6e26 2334 353b 2667 743b 6d6f 6475 ion->modu\n-00038230: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-00038240: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-00038250: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00038260: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00038270: 224d 3337 3234 2e34 362c 2d36 3434 2e36 \"M3724.46,-644.6\n-00038280: 3943 3337 3137 2e38 372c 2d36 3335 2e33 9C3717.87,-635.3\n-00038290: 3120 3337 3039 2e34 352c 2d36 3231 2e38 1 3709.45,-621.8\n-000382a0: 3420 3337 3034 2e38 362c 2d36 3038 2e37 4 3704.86,-608.7\n-000382b0: 2033 3639 332e 3734 2c2d 3537 362e 3832 3693.74,-576.82\n-000382c0: 2033 3639 342e 3836 2c2d 3536 372e 3136 3694.86,-567.16\n-000382d0: 2033 3639 342e 3836 2c2d 3533 332e 3420 3694.86,-533.4 \n-000382e0: 3336 3934 2e38 362c 2d35 3333 2e34 2033 3694.86,-533.4 3\n-000382f0: 3639 342e 3836 2c2d 3533 332e 3420 3336 694.86,-533.4 36\n-00038300: 3934 2e38 362c 2d33 3432 2e37 3920 3336 94.86,-342.79 36\n-00038310: 3934 2e38 362c 2d33 3038 2e36 3620 3337 94.86,-308.66 37\n-00038320: 3035 2e39 312c 2d32 3839 2e35 3320 3336 05.91,-289.53 36\n-00038330: 3739 2e38 362c 2d32 3637 2e34 3820 3336 79.86,-267.48 36\n-00038340: 3139 2e37 332c 2d32 3136 2e35 3720 3233 19.73,-216.57 23\n-00038350: 3836 2e32 332c 2d32 3138 2e31 3320 3231 86.23,-218.13 21\n-00038360: 3531 2e33 322c 2d32 3138 2e38 3922 2f3e 51.32,-218.89\"/>\n-00038370: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-000383e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 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6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n+000354b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000354c0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+000354d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000354e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000354f0: 2362 6662 6662 6622 2064 3d22 4d37 3233 #bfbfbf\" d=\"M723\n+00035500: 2e30 382c 2d35 3831 2e39 3943 3731 362e .08,-581.99C716.\n+00035510: 3233 2c2d 3537 322e 3638 2037 3037 2e37 23,-572.68 707.7\n+00035520: 312c 2d35 3539 2e32 3420 3730 342c 2d35 1,-559.24 704,-5\n+00035530: 3435 2e38 3320 3638 382e 3436 2c2d 3438 45.83 688.46,-48\n+00035540: 392e 3632 2036 3538 2e34 392c 2d35 3232 9.62 658.49,-522\n+00035550: 2e39 3720 3733 312c 2d33 3330 2e33 3520 .97 731,-330.35 \n+00035560: 3736 382e 3236 2c2d 3233 312e 3338 2038 768.26,-231.38 8\n+00035570: 3239 2e34 342c 2d32 3236 2e30 3120 3933 29.44,-226.01 93\n+00035580: 332c 2d32 3034 2e36 3120 3934 392e 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gt;module_src_gr\n+00035670: 6f6d 6163 735f 6f70 7469 6f6e 7320 2d2d omacs_options --\n+00035680: 3e0a 3c67 2069 643d 2265 6467 6533 3532 >.<g id=\"edge352\n+00035690: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+000356a0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+000356b0: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n+000356c0: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+000356d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000356e0: 6163 735f 6f70 7469 6f6e 733c 2f74 6974 acs_options</tit\n+000356f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00035700: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00035710: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+00035720: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00035730: 3639 332e 3736 2c2d 3538 352e 3535 4336 693.76,-585.55C6\n+00035740: 3635 2e35 312c 2d35 3738 2e30 3420 3632 65.51,-578.04 62\n+00035750: 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6f6d module_src_grom\n+00035cc0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00035cd0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00035ce0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00035cf0: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67 mmandline -->.<g\n+00035d00: 2069 643d 2265 6467 6533 3439 2220 636c id=\"edge349\" cl\n+00035d10: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00035d20: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00035d30: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00035d40: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00035d50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00035d60: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+00035d70: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00035d80: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+00035d90: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+00035da0: 6172 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macs_applied_for\n+00035f70: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00035f80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00035f90: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald..\n+00036040: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+000360b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00036350: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00036360: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+00036370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00036380: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00036390: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n+00036510: 6720 6964 3d22 6564 6765 3337 3422 2063 g id=\"edge374\" c\n+00036520: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00036540: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+00036550: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00036560: 6f6d 6163 735f 746f 706f 6c6f 6779 3c2f omacs_topology......mo\n+000366f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00036700: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n+00036710: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00036720: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib.....\n+00036850: 3c67 2069 643d 2265 6467 6533 3732 2220 .module_src_\n+00036880: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n+00036890: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000368a0: 726f 6d61 6373 5f70 6263 7574 696c 3c2f romacs_pbcutil....\n+000369c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n+00036be0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n+00036bf0: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n+00036c00: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00036c10: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib....<\n+00036db0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00036dc0: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n+00036dd0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00036de0: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+00036df0: 0a3c 6720 6964 3d22 6564 6765 3336 3622 ..<\n+00036e10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00036e20: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n+00036e30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00036e40: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec......mo\n+00037040: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00037050: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n+00037060: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00037070: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n+00037080: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00037090: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+000370a0: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+000370b0: 6172 7261 793d 2235 2c32 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2066 696c title>.<path fil\n+000379c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000379d0: 2272 6564 2220 643d 224d 3137 3336 2e32 \"red\" d=\"M1736.2\n+000379e0: 342c 2d31 3339 382e 3931 4331 3733 382e 4,-1398.91C1738.\n+000379f0: 3338 2c2d 3133 3832 2e33 3820 3137 3339 38,-1382.38 1739\n+00037a00: 2e33 332c 2d31 3335 332e 3532 2031 3732 .33,-1353.52 172\n+00037a10: 342c 2d31 3333 362e 3237 2031 3730 342e 4,-1336.27 1704.\n+00037a20: 3936 2c2d 3133 3134 2e38 3520 3136 3238 96,-1314.85 1628\n+00037a30: 2e37 352c 2d31 3330 302e 3635 2031 3537 .75,-1300.65 157\n+00037a40: 382e 3833 2c2d 3132 3933 2e34 3422 2f3e 8.83,-1293.44\"/>\n+00037a50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00037a60: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n+00037a70: 2220 706f 696e 7473 3d22 3135 3739 2e33 \" points=\"1579.3\n+00037a80: 2c2d 3132 3839 2e39 3820 3135 3638 2e39 ,-1289.98 1568.9\n+00037a90: 312c 2d31 3239 322e 3035 2031 3537 382e 1,-1292.05 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6e6f 6e65 ....<\n+00037dc0: 6720 6964 3d22 6564 6765 3337 3622 2063 g id=\"edge376\" c\n+00037dd0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00037df0: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n+00037e00: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+00037e10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n+00037e20: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00037e30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00037e40: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00037e50: 2220 643d 224d 3137 3432 2e33 362c 2d31 \" d=\"M1742.36,-1\n+00037e60: 3339 392e 3139 4331 3735 362e 3131 2c2d 399.19C1756.11,-\n+00037e70: 3133 3737 2e35 3820 3137 3832 2c2d 3133 1377.58 1782,-13\n+00037e80: 3331 2e31 3620 3137 3832 2c2d 3132 3837 31.16 1782,-1287\n+00037e90: 2e38 3420 3137 3832 2c2d 3132 3837 2e38 .84 1782,-1287.8\n+00037ea0: 3420 3137 3832 2c2d 3132 3837 2e38 3420 4 1782,-1287.84 \n+00037eb0: 3137 3832 2c2d 3132 3232 2e39 3720 3137 1782,-1222.97 17\n+00037ec0: 3832 2c2d 3131 3837 2e37 3620 3137 3832 82,-1187.76 1782\n+00037ed0: 2c2d 3131 3436 2e39 3120 3137 3832 2c2d ,-1146.91 1782,-\n+00037ee0: 3131 3232 2e30 3822 2f3e 0a3c 706f 6c79 1122.08\"/>.....mo\n+00037fe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00037ff0: 5f63 6f6f 7264 696e 6174 6569 6f26 2334 _coordinateio\n+00038000: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00038010: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+00038020: 6f72 7961 6e61 6c79 7369 733c 2f74 6974 oryanalysis</tit\n+00038030: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00038040: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00038050: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+00038060: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00038070: 224d 3137 3730 2e39 332c 2d31 3432 312e \"M1770.93,-1421.\n+00038080: 3534 4331 3831 342e 3436 2c2d 3134 3331 54C1814.46,-1431\n+00038090: 2e37 3320 3138 3836 2e36 312c 2d31 3434 .73 1886.61,-144\n+000380a0: 392e 3531 2031 3933 332e 3739 2c2d 3134 9.51 1933.79,-14\n+000380b0: 3631 2e36 3222 2f3e 0a3c 706f 6c79 676f 61.62\"/>.<polygo\n+000380c0: 6e20 6669 6c6c 3d22 2332 6363 6332 3822 n fill=\"#2ccc28\"\n+000380d0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+000380e0: 2220 706f 696e 7473 3d22 3139 3333 2e31 \" points=\"1933.1\n+000380f0: 392c 2d31 3436 352e 3038 2031 3934 332e 9,-1465.08 1943.\n+00038100: 3735 2c2d 3134 3634 2e31 3920 3139 3334 75,-1464.19 1934\n+00038110: 2e39 342c 2d31 3435 382e 3320 3139 3333 .94,-1458.3 1933\n+00038120: 2e31 392c 2d31 3436 352e 3038 222f 3e0a .19,-1465.08\"/>.\n+00038130: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00038140: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6f _src_gromacs_coo\n+00038150: 7264 696e 6174 6569 6f26 2334 353b 2667 rdinateio-&g\n+00038160: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00038170: 6d61 6373 5f74 7261 6a65 6374 6f72 7920 macs_trajectory \n+00038180: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->.<g id=\"edge3\n+00038190: 3738 2220 636c 6173 733d 2265 6467 6522 78\" class=\"edge\"\n+000381a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+000381b0: 7372 635f 6772 6f6d 6163 735f 636f 6f72 src_gromacs_coor\n+000381c0: 6469 6e61 7465 696f 2623 3435 3b26 6774 dinateio->\n+000381d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000381e0: 6163 735f 7472 616a 6563 746f 7279 3c2f acs_trajectory</\n+000381f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00038200: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00038210: 2272 6564 2220 643d 224d 3137 3738 2e32 \"red\" d=\"M1778.2\n+00038220: 362c 2d31 3430 362e 3836 4331 3830 302e 6,-1406.86C1800.\n+00038230: 342c 2d31 3430 342e 3532 2031 3832 372e 4,-1404.52 1827.\n+00038240: 3632 2c2d 3134 3031 2e36 3520 3138 3532 62,-1401.65 1852\n+00038250: 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6e20 .84\"/>.<polygon \n+00038340: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n+00038350: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n+00038360: 3336 3834 2e39 312c 2d34 372e 3420 3336 3684.91,-47.4 36\n+00038370: 3735 2e35 312c 2d34 322e 3520 3336 3739 75.51,-42.5 3679\n+00038380: 2e38 2c2d 3532 2e31 3920 3336 3834 2e39 .8,-52.19 3684.9\n+00038390: 312c 2d34 372e 3422 2f3e 0a3c 2f67 3e0a 1,-47.4\"/>.</g>.\n+000383a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+000383b0: 6772 6f6d 6163 735f 7261 6e64 6f6d 2623 gromacs_random&#\n+000383c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000383d0: 635f 6772 6f6d 6163 735f 7574 696c 6974 c_gromacs_utilit\n+000383e0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n+000383f0: 6533 3831 2220 636c 6173 733d 2265 6467 e381\" class=\"edg\n+00038400: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n 00038410: 655f 7372 635f 6772 6f6d 6163 735f 7261 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3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000387c0: 6f6d 6163 735f 7062 6375 7469 6c20 2d2d omacs_pbcutil --\n-000387d0: 3e0a 3c67 2069 643d 2265 6467 6533 3639 >.<g id=\"edge369\n-000387e0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000387f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00038800: 635f 6772 6f6d 6163 735f 7365 6c65 6374 c_gromacs_select\n-00038810: 696f 6e26 2334 353b 2667 743b 6d6f 6475 ion->modu\n-00038820: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-00038830: 6263 7574 696c 3c2f 7469 746c 653e 0a3c bcutil.<\n-00038840: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00038850: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00038860: 2220 643d 224d 3336 3937 2e31 352c 2d36 \" d=\"M3697.15,-6\n-00038870: 3533 2e30 3543 3335 3239 2e33 342c 2d36 53.05C3529.34,-6\n-00038880: 3334 2e34 2032 3833 362e 3035 2c2d 3535 34.4 2836.05,-55\n-00038890: 372e 3332 2032 3636 312e 312c 2d35 3337 7.32 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2e30 6 4007.49,-657.0\n-0003af00: 3920 3339 3736 2e31 392c 2d36 3136 2e34 9 3976.19,-616.4\n-0003af10: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....mo\n-0003aff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003b000: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n-0003b010: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003b020: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft......modul\n-0003b240: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0003b250: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-0003b260: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0003b270: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-0003b280: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0003b290: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0003b2a0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-0003b2b0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n-0003b2c0: 3334 312e 3933 2c2d 3136 3632 2e38 3243 341.93,-1662.82C\n-0003b2d0: 3135 3738 2e33 312c 2d31 3636 302e 3633 1578.31,-1660.63\n-0003b2e0: 2033 3238 322e 3836 2c2d 3136 3431 2e32 3282.86,-1641.2\n-0003b2f0: 3720 3332 3832 2e38 362c 2d31 3533 392e 7 3282.86,-1539.\n-0003b300: 3332 2033 3238 322e 3836 2c2d 3135 3339 32 3282.86,-1539\n-0003b310: 2e33 3220 3332 3832 2e38 362c 2d31 3533 .32 3282.86,-153\n-0003b320: 392e 3332 2033 3238 322e 3836 2c2d 3134 9.32 3282.86,-14\n-0003b330: 3131 2e35 3820 3332 3832 2e38 362c 2d31 11.58 3282.86,-1\n-0003b340: 3333 372e 3734 2033 3034 382e 3434 2c2d 337.74 3048.44,-\n-0003b350: 3132 3634 2e36 3220 3239 3438 2e33 322c 1264.62 2948.32,\n-0003b360: 2d31 3233 362e 3736 222f 3e0a 3c70 6f6c -1236.76\"/>.<pol\n-0003b370: 7967 6f6e 2066 696c 6c3d 2262 6c61 636b ygon fill=\"black\n-0003b380: 2220 7374 726f 6b65 3d22 626c 6163 6b22 \" stroke=\"black\"\n-0003b390: 2070 6f69 6e74 733d 2232 3934 392e 3037 points=\"2949.07\n-0003b3a0: 2c2d 3132 3333 2e33 3320 3239 3338 2e35 ,-1233.33 2938.5\n-0003b3b0: 2c2d 3132 3334 2e30 3520 3239 3437 2e32 ,-1234.05 2947.2\n-0003b3c0: 312c 2d31 3234 302e 3038 2032 3934 392e 1,-1240.08 2949.\n-0003b3d0: 3037 2c2d 3132 3333 2e33 3322 2f3e 0a3c 07,-1233.33\"/>.<\n-0003b3e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0003b3f0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-0003b400: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0003b410: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-0003b420: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n-0003b430: 6765 3339 3322 2063 6c61 7373 3d22 6564 ge393\" class=\"ed\n-0003b440: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0003b450: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0003b460: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0003b470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003b480: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald....<\n-0003b700: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003b710: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-0003b720: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0003b730: 6772 6f6d 6163 735f 7574 696c 6974 7920 gromacs_utility \n-0003b740: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->..module_\n-0003b770: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-0003b780: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0003b790: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-0003b7a0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......modu\n-0003b9d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0003b9e0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0003b9f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003ba00: 7469 6d69 6e67 3c2f 7469 746c 653e 0a3c timing.<\n-0003ba10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0003ba20: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0003ba30: 2220 643d 224d 3132 3837 2e38 332c 2d31 \" d=\"M1287.83,-1\n-0003ba40: 3636 322e 3232 4331 3138 362e 3533 2c2d 662.22C1186.53,-\n-0003ba50: 3136 3538 2e38 3420 3833 332e 3236 2c2d 1658.84 833.26,-\n-0003ba60: 3136 3434 2e39 3720 3739 332e 3836 2c2d 1644.97 793.86,-\n-0003ba70: 3136 3134 2e36 3220 3733 392e 3437 2c2d 1614.62 739.47,-\n-0003ba80: 3135 3732 2e37 3220 3735 392e 3439 2c2d 1572.72 759.49,-\n-0003ba90: 3135 3239 2e38 3820 3736 392e 3836 2c2d 1529.88 769.86,-\n-0003baa0: 3134 3632 2e30 3120 3830 392e 3635 2c2d 1462.01 809.65,-\n-0003bab0: 3132 3031 2e35 3420 3735 322e 3732 2c2d 1201.54 752.72,-\n-0003bac0: 3130 3734 2e33 3420 3934 362e 3836 2c2d 1074.34 946.86,-\n-0003bad0: 3839 362e 3138 2031 3030 312e 3532 2c2d 896.18 1001.52,-\n-0003bae0: 3834 362e 3032 2031 3034 332e 3034 2c2d 846.02 1043.04,-\n-0003baf0: 3839 322e 3431 2031 3130 392e 3836 2c2d 892.41 1109.86,-\n-0003bb00: 3836 302e 3138 2031 3237 302e 3139 2c2d 860.18 1270.19,-\n-0003bb10: 3738 322e 3834 2031 3236 362e 3833 2c2d 782.84 1266.83,-\n-0003bb20: 3730 322e 3332 2031 3339 372e 3836 2c2d 702.32 1397.86,-\n-0003bb30: 3538 312e 3833 2031 3431 302e 372c 2d35 581.83 1410.7,-5\n-0003bb40: 3730 2e30 3320 3134 3236 2e33 392c 2d35 70.03 1426.39,-5\n-0003bb50: 3538 2e34 3120 3134 3339 2e32 352c 2d35 58.41 1439.25,-5\n-0003bb60: 3439 2e35 3222 2f3e 0a3c 706f 6c79 676f 49.52\"/>.....module\n-0003bc50: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n-0003bc60: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0003bc70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0003bc80: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run......m\n-0003bef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003bf00: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n-0003bf10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0003bf20: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n-0003bf30: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t....\n-0003c100: 0a3c 6720 6964 3d22 6564 6765 3339 3222 ..<\n-0003c120: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0003c130: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n-0003c140: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003c150: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n-0003c160: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-0003c2e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ..<\n-0003c350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003c360: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-0003c370: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0003c380: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-0003c390: 7279 202d 2d3e 0a3c 6720 6964 3d22 6564 ry -->..modu\n-0003c3c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0003c3d0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0003c3e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003c3f0: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory</titl\n-0003c400: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0003c410: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0003c420: 6266 6266 2220 643d 224d 3133 3431 2e38 bfbf\" d=\"M1341.8\n-0003c430: 332c 2d31 3636 322e 3835 4331 3534 342e 3,-1662.85C1544.\n-0003c440: 3331 2c2d 3136 3631 2e32 3420 3238 3233 31,-1661.24 2823\n-0003c450: 2e30 312c 2d31 3634 392e 3639 2032 3939 .01,-1649.69 299\n-0003c460: 302e 3836 2c2d 3136 3134 2e36 3220 3331 0.86,-1614.62 31\n-0003c470: 3530 2e39 362c 2d31 3538 312e 3137 2033 50.96,-1581.17 3\n-0003c480: 3235 362e 3931 2c2d 3135 3831 2e37 3620 256.91,-1581.76 \n-0003c490: 3333 3036 2e38 362c 2d31 3432 362e 3031 3306.86,-1426.01\n-0003c4a0: 2033 3333 322e 3232 2c2d 3133 3436 2e39 3332.22,-1346.9\n-0003c4b0: 3620 3332 3836 2e38 362c 2d31 3135 352e 6 3286.86,-1155.\n-0003c4c0: 3433 2033 3238 362e 3836 2c2d 3130 3939 43 3286.86,-1099\n-0003c4d0: 2e32 3320 3332 3836 2e38 362c 2d31 3039 .23 3286.86,-109\n-0003c4e0: 392e 3233 2033 3238 362e 3836 2c2d 3130 9.23 3286.86,-10\n-0003c4f0: 3939 2e32 3320 3332 3836 2e38 362c 2d39 99.23 3286.86,-9\n-0003c500: 3731 2e34 3920 3332 3836 2e38 362c 2d38 71.49 3286.86,-8\n-0003c510: 3733 2e32 3120 3331 3837 2e39 362c 2d36 73.21 3187.96,-6\n-0003c520: 3431 2e38 3220 3331 3636 2e38 362c 2d35 41.82 3166.86,-5\n-0003c530: 3435 2e38 3320 3331 3632 2e39 392c 2d35 45.83 3162.99,-5\n-0003c540: 3238 2e32 3520 3331 3539 2e38 352c 2d35 28.25 3159.85,-5\n-0003c550: 3038 2e30 3920 3331 3537 2e37 352c 2d34 08.09 3157.75,-4\n-0003c560: 3933 2e30 3622 2f3e 0a3c 706f 6c79 676f 93.06\"/>.<polygo\n-0003c570: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-0003c580: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0003c590: 2220 706f 696e 7473 3d22 3331 3631 2e32 \" points=\"3161.2\n-0003c5a0: 322c 2d34 3932 2e35 3820 3331 3536 2e34 2,-492.58 3156.4\n-0003c5b0: 312c 2d34 3833 2e31 3320 3331 3534 2e32 1,-483.13 3154.2\n-0003c5c0: 382c 2d34 3933 2e35 3120 3331 3631 2e32 8,-493.51 3161.2\n-0003c5d0: 322c 2d34 3932 2e35 3822 2f3e 0a3c 2f67 2,-492.58\"/>.</g\n-0003c5e0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0003c5f0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n-0003c600: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003c610: 7263 5f67 726f 6d61 6373 5f70 6263 7574 rc_gromacs_pbcut\n-0003c620: 696c 202d 2d3e 0a3c 6720 6964 3d22 6564 il -->.<g id=\"ed\n-0003c630: 6765 3339 3122 2063 6c61 7373 3d22 6564 ge391\" class=\"ed\n-0003c640: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0003c650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0003c660: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0003c670: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003c680: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n-0003c690: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-0003c8e0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-0003c8f0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0003c900: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0003c910: 7072 6570 726f 6365 7373 3c2f 7469 746c preprocess</titl\n-0003c920: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0003c930: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0003c940: 6266 6266 2220 643d 224d 3133 3431 2e38 bfbf\" d=\"M1341.8\n-0003c950: 372c 2d31 3636 322e 3138 4331 3435 322e 7,-1662.18C1452.\n-0003c960: 3239 2c2d 3136 3538 2e34 3820 3138 3830 29,-1658.48 1880\n-0003c970: 2e30 362c 2d31 3634 332e 3031 2032 3233 .06,-1643.01 223\n-0003c980: 302e 3836 2c2d 3136 3134 2e36 3220 3232 0.86,-1614.62 22\n-0003c990: 3438 2e33 362c 2d31 3631 332e 3231 2032 48.36,-1613.21 2\n-0003c9a0: 3236 372e 3333 2c2d 3136 3131 2e32 3920 267.33,-1611.29 \n-0003c9b0: 3232 3834 2e36 392c 2d31 3630 392e 3339 2284.69,-1609.39\n-0003c9c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0003c9d0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0003c9e0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-0003c9f0: 6e74 733d 2232 3238 352e 3134 2c2d 3136 nts=\"2285.14,-16\n-0003ca00: 3132 2e38 3620 3232 3934 2e36 392c 2d31 12.86 2294.69,-1\n-0003ca10: 3630 382e 3237 2032 3238 342e 3337 2c2d 608.27 2284.37,-\n-0003ca20: 3136 3035 2e39 2032 3238 352e 3134 2c2d 1605.9 2285.14,-\n-0003ca30: 3136 3132 2e38 3622 2f3e 0a3c 2f67 3e0a 1612.86\"/>.</g>.\n-0003ca40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0003ca50: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n-0003ca60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003ca70: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n-0003ca80: 6f6e 202d 2d3e 0a3c 6720 6964 3d22 6564 on -->.<g id=\"ed\n-0003ca90: 6765 3339 3922 2063 6c61 7373 3d22 6564 ge399\" class=\"ed\n-0003caa0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0003cab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0003cac0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n-0003cad0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003cae0: 7365 6c65 6374 696f 6e3c 2f74 6974 6c65 selection</title\n-0003caf0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0003cb00: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-0003cb10: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-0003cb20: 7261 793d 2235 2c32 2220 643d 224d 3133 ray=\"5,2\" d=\"M13\n-0003cb30: 3431 2e39 2c2d 3136 3632 2e37 3443 3135 41.9,-1662.74C15\n-0003cb40: 3736 2e35 342c 2d31 3635 392e 3936 2033 76.54,-1659.96 3\n-0003cb50: 3236 342e 3537 2c2d 3136 3339 2e32 3220 264.57,-1639.22 \n-0003cb60: 3334 3837 2e38 362c 2d31 3631 342e 3632 3487.86,-1614.62\n-0003cb70: 2033 3635 372e 372c 2d31 3539 352e 3931 3657.7,-1595.91\n-0003cb80: 2033 3836 342e 3836 2c2d 3137 3130 2e31 3864.86,-1710.1\n-0003cb90: 3820 3338 3634 2e38 362c 2d31 3533 392e 8 3864.86,-1539.\n-0003cba0: 3332 2033 3836 342e 3836 2c2d 3135 3339 32 3864.86,-1539\n-0003cbb0: 2e33 3220 3338 3634 2e38 362c 2d31 3533 .32 3864.86,-153\n-0003cbc0: 392e 3332 2033 3836 342e 3836 2c2d 3134 9.32 3864.86,-14\n-0003cbd0: 3131 2e35 3820 3338 3634 2e38 362c 2d31 11.58 3864.86,-1\n-0003cbe0: 3430 392e 3220 3337 3539 2e37 332c 2d38 409.2 3759.73,-8\n-0003cbf0: 3037 2e32 3620 3337 3337 2e38 332c 2d36 07.26 3737.83,-6\n-0003cc00: 3831 2e38 3622 2f3e 0a3c 706f 6c79 676f 81.86\"/>.<polygo\n-0003cc10: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073 n fill=\"black\" s\n-0003cc20: 7472 6f6b 653d 2262 6c61 636b 2220 706f troke=\"black\" po\n-0003cc30: 696e 7473 3d22 3337 3431 2e32 352c 2d36 ints=\"3741.25,-6\n-0003cc40: 3831 2e30 3820 3337 3336 2e30 382c 2d36 81.08 3736.08,-6\n-0003cc50: 3731 2e38 3420 3337 3334 2e33 352c 2d36 71.84 3734.35,-6\n-0003cc60: 3832 2e32 3920 3337 3431 2e32 352c 2d36 82.29 3741.25,-6\n-0003cc70: 3831 2e30 3822 2f3e 0a3c 2f67 3e0a 3c21 81.08\"/>.</g>.<!\n-0003cc80: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0003cc90: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-0003cca0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0003ccb0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-0003ccc0: 3e0a 3c67 2069 643d 2265 6467 6534 3030 >.<g id=\"edge400\n-0003ccd0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0003cce0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0003ccf0: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n-0003cd00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003cd10: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0003cd20: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b....\n-0003ce90: 0a3c 6720 6964 3d22 6564 6765 3430 3422 ..<\n-0003ceb0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0003cec0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0003ced0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0003cee0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0003cef0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.\n-0003d060: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-0003d150: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n-0003d160: 7574 696c 7326 2334 353b 2667 743b 6d6f utils->mo\n-0003d170: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003d180: 5f6d 6174 683c 2f74 6974 6c65 3e0a 3c70 _math..<\n-0003d220: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-0003d230: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-0003d240: 636b 2220 706f 696e 7473 3d22 3138 3339 ck\" points=\"1839\n-0003d250: 2e33 372c 2d33 3430 2e33 3320 3138 3439 .37,-340.33 1849\n-0003d260: 2e38 312c 2d33 3338 2e35 3520 3138 3430 .81,-338.55 1840\n-0003d270: 2e35 342c 2d33 3333 2e34 3320 3138 3339 .54,-333.43 1839\n-0003d280: 2e33 372c 2d33 3430 2e33 3322 2f3e 0a3c .37,-340.33\"/>.<\n-0003d290: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gr\n-0003d310: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n-0003d320: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003d330: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-0003d340: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are.....\n-0003d460: 3c67 2069 643d 2265 6467 6534 3031 2220 .module_src_\n-0003d490: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n-0003d4a0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0003d4b0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-0003d4c0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity.\n-0003d560: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0003d5d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n-0003d650: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0003d660: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n-0003d670: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n-0003d680: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0003d690: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module_src_grom\n-0003d840: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0003d850: 6573 5f61 7768 2623 3435 3b26 6774 3b6d es_awh->m\n-0003d860: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003d870: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology......module_src_gro\n-0003da80: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-0003da90: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n-0003daa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0003dab0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio....<\n-0003dc10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0003dc20: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0003dc30: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-0003dc40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003dc50: 6d61 6373 5f70 756c 6c69 6e67 202d 2d3e macs_pulling -->\n-0003dc60: 0a3c 6720 6964 3d22 6564 6765 3432 3022 ..<\n-0003dc80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0003dc90: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0003dca0: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n-0003dcb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0003dcc0: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f romacs_pulling......module\n-0003df40: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0003df50: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-0003df60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0003df70: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-0003df80: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty..\n-0003e130: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n-0003e220: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0003e230: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-0003e240: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n-0003e250: 655f 7372 635f 6772 6f6d 6163 735f 7469 e_src_gromacs_ti\n-0003e260: 6d69 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5f73 7263 5f67 726f 6d61 module_src_groma\n-0003eec0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-0003eed0: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n-0003eee0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0003eef0: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n-0003ef00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-0003f1b0: 6720 6964 3d22 6564 6765 3431 3322 2063 g id=\"edge413\" c\n-0003f1c0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0003f1e0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0003f1f0: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-0003f200: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003f210: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib......\n-0003f350: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-0003f360: 7469 6c73 3c2f 7469 746c 653e 0a3c 6720 tils...testu\n-0003f490: 7469 6c73 3c2f 7465 7874 3e0a 3c2f 613e tils.\n-0003f4a0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_tes\n-0003f520: 7475 7469 6c73 2623 3435 3b26 6774 3b6d tutils->m\n-0003f530: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0003f540: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware...<\n-0003f680: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n-0003f6f0: 5f73 7263 5f74 6573 7475 7469 6c73 2623 _src_testutils&#\n-0003f700: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0003f710: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-0003f720: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s.....\n-0003f8b0: 3c67 2069 643d 2265 6467 6534 3130 2220 .module_src_\n-0003f8e0: 7465 7374 7574 696c 7326 2334 353b 2667 testutils-&g\n-0003f8f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0003f900: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-0003f910: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-0003fd40: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n-0003fd50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0003fd60: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-0003fd70: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory......mo\n-0003ff60: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n-0003ff70: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0003ff80: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0003ff90: 7870 7265 7072 6f63 6573 733c 2f74 6974 xpreprocess</tit\n-0003ffa0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0003ffb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0003ffc0: 6662 6662 6622 2064 3d22 4d34 3433 302e fbfbf\" d=\"M4430.\n-0003ffd0: 3335 2c2d 3136 3631 2e35 3443 3433 3731 35,-1661.54C4371\n-0003ffe0: 2e33 312c 2d31 3635 392e 3034 2034 3234 .31,-1659.04 424\n-0003fff0: 392e 3232 2c2d 3136 3534 2e30 3220 3431 9.22,-1654.02 41\n-00040000: 3435 2e38 362c 2d31 3635 302e 3632 2033 45.86,-1650.62 3\n-00040010: 3437 302e 312c 2d31 3632 382e 3431 2032 470.1,-1628.41 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2069 643d 2265 6467 6534 -->.<g id=\"edge4\n-00040110: 3037 2220 636c 6173 733d 2265 6467 6522 07\" class=\"edge\"\n-00040120: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00040130: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n-00040140: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00040150: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-00040160: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......\n+00038420: 6e64 6f6d 2623 3435 3b26 6774 3b6d 6f64 ndom->mod\n+00038430: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00038440: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00038450: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n+000386b0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000386c0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+000386d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000386e0: 7374 6174 6973 7469 6373 3c2f 7469 746c statistics</titl\n+000386f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00038700: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00038710: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00038720: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00038730: 4d32 3237 362e 322c 2d31 3532 362e 3938 M2276.2,-1526.98\n+00038740: 4332 3233 342e 3438 2c2d 3135 3035 2e32 C2234.48,-1505.2\n+00038750: 2032 3133 372e 3336 2c2d 3134 3534 2e34 2137.36,-1454.4\n+00038760: 3920 3230 3838 2e33 372c 2d31 3432 382e 9 2088.37,-1428.\n+00038770: 3931 222f 3e0a 3c70 6f6c 7967 6f6e 2066 91\"/>.<polygon f\n+00038780: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00038790: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+000387a0: 6f69 6e74 733d 2232 3038 392e 3733 2c2d oints=\"2089.73,-\n+000387b0: 3134 3235 2e36 3720 3230 3739 2e32 342c 1425.67 2079.24,\n+000387c0: 2d31 3432 342e 3135 2032 3038 362e 3439 -1424.15 2086.49\n+000387d0: 2c2d 3134 3331 2e38 3820 3230 3839 2e37 ,-1431.88 2089.7\n+000387e0: 332c 2d31 3432 352e 3637 222f 3e0a 3c2f 3,-1425.67\"/>.</\n+000387f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00038800: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+00038810: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+00038820: 5f73 7263 5f67 726f 6d61 6373 5f6d 6174 _src_gromacs_mat\n+00038830: 6820 2d2d 3e0a 3c67 2069 643d 2265 6467 h -->.<g id=\"edg\n+00038840: 6533 3937 2220 636c 6173 733d 2265 6467 e397\" class=\"edg\n+00038850: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00038860: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00038870: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00038880: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00038890: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math......module_src_gr\n+00038a60: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00038a70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00038a80: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00038a90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modu\n+00038c50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00038c60: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+00038c70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00038c80: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n+00038c90: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00038ca0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00038cb0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00038cc0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00038cd0: 2064 3d22 4d32 3236 302e 3632 2c2d 3135 d=\"M2260.62,-15\n+00038ce0: 3337 2e35 3243 3231 3437 2e32 342c 2d31 37.52C2147.24,-1\n+00038cf0: 3533 372e 3636 2031 3738 322e 3936 2c2d 537.66 1782.96,-\n+00038d00: 3135 3334 2e33 3120 3134 3836 2c2d 3134 1534.31 1486,-14\n+00038d10: 3838 2e38 3820 3133 3735 2e30 392c 2d31 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3232 352e 3837 2039 3332 2e39 312c ,-225.87 932.91,\n+00038e10: 2d32 3231 2e36 3122 2f3e 0a3c 706f 6c79 -221.61\"/>.<poly\n+00038e20: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00038e30: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00038e40: 6363 2220 706f 696e 7473 3d22 3933 332e cc\" points=\"933.\n+00038e50: 3331 2c2d 3232 352e 3039 2039 3433 2e30 31,-225.09 943.0\n+00038e60: 352c 2d32 3230 2e39 3120 3933 322e 3834 5,-220.91 932.84\n+00038e70: 2c2d 3231 382e 3120 3933 332e 3331 2c2d ,-218.1 933.31,-\n+00038e80: 3232 352e 3039 222f 3e0a 3c2f 673e 0a3c 225.09\"/>.</g>.<\n+00038e90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00038ea0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00038eb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00038ec0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+00038ed0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n+00038ee0: 6533 3835 2220 636c 6173 733d 2265 6467 e385\" class=\"edg\n+00038ef0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00038f00: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00038f10: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00038f20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00038f30: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n+00038f40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+00039040: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00039050: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00039060: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00039070: 3135 3433 2e30 342c 2d31 3330 382e 3934 1543.04,-1308.94\n+00039080: 2031 3533 362e 3938 2c2d 3133 3030 2e32 1536.98,-1300.2\n+00039090: 3520 3135 3336 2e33 2c2d 3133 3130 2e38 5 1536.3,-1310.8\n+000390a0: 3320 3135 3433 2e30 342c 2d31 3330 382e 3 1543.04,-1308.\n+000390b0: 3934 222f 3e0a 3c2f 673e 0a3c 212d 2d20 94\"/>....modu\n+00039130: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00039140: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+00039150: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00039160: 5f6c 696e 6561 7261 6c67 6562 7261 3c2f _linearalgebra</\n+00039170: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00039180: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00039190: 2223 6266 6266 6266 2220 643d 224d 3232 \"#bfbfbf\" d=\"M22\n+000391a0: 3938 2e33 372c 2d31 3532 342e 3732 4332 98.37,-1524.72C2\n+000391b0: 3330 322e 3337 2c2d 3135 3032 2e34 3120 302.37,-1502.41 \n+000391c0: 3233 3130 2c2d 3134 3534 2e34 3420 3233 2310,-1454.44 23\n+000391d0: 3130 2c2d 3134 3133 2e35 3820 3233 3130 10,-1413.58 2310\n+000391e0: 2c2d 3134 3133 2e35 3820 3233 3130 2c2d ,-1413.58 2310,-\n+000391f0: 3134 3133 2e35 3820 3233 3130 2c2d 3132 1413.58 2310,-12\n+00039200: 3835 2e38 3420 3233 3130 2c2d 3132 3330 85.84 2310,-1230\n+00039210: 2e36 3720 3231 3338 2e31 2c2d 3131 3838 .67 2138.1,-1188\n+00039220: 2e39 3620 3230 3530 2e37 332c 2d31 3137 .96 2050.73,-117\n+00039230: 312e 3332 222f 3e0a 3c70 6f6c 7967 6f6e 1.32\"/>.<polygon\n+00039240: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+00039250: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+00039260: 2070 6f69 6e74 733d 2232 3035 312e 3235 points=\"2051.25\n+00039270: 2c2d 3131 3637 2e38 3620 3230 3430 2e37 ,-1167.86 2040.7\n+00039280: 362c 2d31 3136 392e 3334 2032 3034 392e 6,-1169.34 2049.\n+00039290: 3839 2c2d 3131 3734 2e37 3220 3230 3531 89,-1174.72 2051\n+000392a0: 2e32 352c 2d31 3136 372e 3836 222f 3e0a .25,-1167.86\"/>.\n+000392b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000392c0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000392d0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+000392e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000392f0: 646c 6962 202d 2d3e 0a3c 6720 6964 3d22 dlib -->.<g id=\"\n+00039300: 6564 6765 3339 3022 2063 6c61 7373 3d22 edge390\" class=\"\n+00039310: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00039320: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00039330: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+00039340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00039350: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00039360: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+000394f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+00039560: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00039570: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00039580: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00039590: 7062 6375 7469 6c3c 2f74 6974 6c65 3e0a pbcutil.\n+000395a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n+000397e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000397f0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00039800: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00039810: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00039820: 2d2d 3e0a 3c67 2069 643d 2265 6467 6533 -->..module_\n+00039850: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+00039860: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+00039870: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00039880: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio...\n+000399c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00039a30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00039a40: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00039a50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00039a60: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+00039a70: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00039a80: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00039a90: 6266 6266 2220 643d 224d 3233 3331 2e33 bfbf\" d=\"M2331.3\n+00039aa0: 332c 2d31 3533 372e 3731 4332 3432 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3635 .85 2406.32,-165\n+00039c80: 2e36 3120 3233 3530 2e37 392c 2d31 3539 .61 2350.79,-159\n+00039c90: 2e38 3522 2f3e 0a3c 706f 6c79 676f 6e20 .85\"/>.<polygon \n+00039ca0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00039cb0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00039cc0: 706f 696e 7473 3d22 3233 3530 2e39 352c points=\"2350.95,\n+00039cd0: 2d31 3536 2e33 3520 3233 3430 2e36 352c -156.35 2340.65,\n+00039ce0: 2d31 3538 2e38 3320 3233 3530 2e32 352c -158.83 2350.25,\n+00039cf0: 2d31 3633 2e33 3220 3233 3530 2e39 352c -163.32 2350.95,\n+00039d00: 2d31 3536 2e33 3522 2f3e 0a3c 2f67 3e0a -156.35\"/>.</g>.\n+00039d10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00039d20: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+00039d30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00039d40: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+00039d50: 6720 2d2d 3e0a 3c67 2069 643d 2265 6467 g -->.<g id=\"edg\n+00039d60: 6533 3935 2220 636c 6173 733d 2265 6467 e395\" class=\"edg\n+00039d70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00039d80: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00039d90: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n+00039da0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00039db0: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00039dc0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n+00039f90: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n+0003a000: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003a010: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+0003a020: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003a030: 6373 5f6d 6473 7061 6e3c 2f74 6974 6c65 cs_mdspan</title\n+0003a040: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0003a050: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0003a060: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" 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7372 635f <!-- module_src_\n+0003a240: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0003a250: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003a260: 635f 6772 6f6d 6163 735f 6666 7420 2d2d c_gromacs_fft --\n+0003a270: 3e0a 3c67 2069 643d 2265 6467 6534 3031 >.<g id=\"edge401\n+0003a280: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0003a290: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0003a2a0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+0003a2b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0003a2c0: 7372 635f 6772 6f6d 6163 735f 6666 743c src_gromacs_fft<\n+0003a2d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0003a2e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0003a2f0: 3d22 626c 6163 6b22 2073 7472 6f6b 652d =\"black\" stroke-\n+0003a300: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0003a310: 643d 224d 3233 3234 2e30 322c 2d31 3533 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2d39 392e 3834 222f 3e0a 3c70 6f6c 7967 -99.84\"/>.<polyg\n+0003a7b0: 6f6e 2066 696c 6c3d 2262 6c61 636b 2220 on fill=\"black\" \n+0003a7c0: 7374 726f 6b65 3d22 626c 6163 6b22 2070 stroke=\"black\" p\n+0003a7d0: 6f69 6e74 733d 2233 3338 362e 3738 2c2d oints=\"3386.78,-\n+0003a7e0: 3936 2e33 3720 3333 3736 2e33 322c 2d39 96.37 3376.32,-9\n+0003a7f0: 382e 3039 2033 3338 352e 3537 2c2d 3130 8.09 3385.57,-10\n+0003a800: 332e 3236 2033 3338 362e 3738 2c2d 3936 3.26 3386.78,-96\n+0003a810: 2e33 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .37\"/>.</g>.<!--\n+0003a820: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0003a830: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0003a840: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0003a850: 6f6d 6163 735f 7574 696c 6974 7920 2d2d omacs_utility --\n+0003a860: 3e0a 3c67 2069 643d 2265 6467 6533 3836 >.<g id=\"edge386\n+0003a870: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0003a880: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0003a890: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+0003a8a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0003a8b0: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0003a8c0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity.....<\n+0003aad0: 6720 6964 3d22 6564 6765 3338 3722 2063 g id=\"edge387\" c\n+0003aae0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0003ab00: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0003ab10: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0003ab20: 5f67 726f 6d61 6373 5f63 6f72 7265 6c61 _gromacs_correla\n+0003ab30: 7469 6f6e 6675 6e63 7469 6f6e 733c 2f74 tionfunctions......mo\n+0003ad10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003ad20: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+0003ad30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003ad40: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+0003ad50: 6c79 7369 733c 2f74 6974 6c65 3e0a 3c70 lysis.\n+0003ade0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+0003aec0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0003aed0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0003aee0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0003aef0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+0003af00: 646f 6d3c 2f74 6974 6c65 3e0a 3c70 6174 dom......modu\n+0003b410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0003b420: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+0003b430: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003b440: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+0003b450: 6177 683c 2f74 6974 6c65 3e0a 3c70 6174 awh...<\n+0003b5e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n+0003b650: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003b660: 6373 5f74 7261 6a65 6374 6f72 7926 2334 cs_trajectory\n+0003b670: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0003b680: 5f67 726f 6d61 6373 5f6d 6174 683c 2f74 _gromacs_math</t\n+0003b690: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0003b6a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0003b6b0: 2362 6662 6662 6622 2064 3d22 4d33 3634 #bfbfbf\" d=\"M364\n+0003b6c0: 372e 3235 2c2d 3431 2e38 3943 3336 3336 7.25,-41.89C3636\n+0003b6d0: 2e31 322c 2d35 302e 3738 2033 3632 312e .12,-50.78 3621.\n+0003b6e0: 3638 2c2d 3634 2e30 3720 3336 3133 2c2d 68,-64.07 3613,-\n+0003b6f0: 3738 2e38 3720 3335 3935 2e34 382c 2d31 78.87 3595.48,-1\n+0003b700: 3038 2e37 3420 3335 3933 2c2d 3131 392e 08.74 3593,-119.\n+0003b710: 3535 2033 3539 332c 2d31 3534 2e31 3820 55 3593,-154.18 \n+0003b720: 3335 3933 2c2d 3533 332e 3420 3335 3933 3593,-533.4 3593\n+0003b730: 2c2d 3533 332e 3420 3335 3933 2c2d 3533 ,-533.4 3593,-53\n+0003b740: 332e 3420 3335 3933 2c2d 3633 372e 3631 3.4 3593,-637.61\n+0003b750: 2033 3533 372e 3931 2c2d 3930 362e 3838 3537.91,-906.88\n+0003b760: 2033 3437 302c 2d39 3835 2e39 3220 3334 3470,-985.92 34\n+0003b770: 3335 2e35 342c 2d31 3032 362e 3033 2033 35.54,-1026.03 3\n+0003b780: 3431 372e 3432 2c2d 3130 3237 2e35 3520 417.42,-1027.55 \n+0003b790: 3333 3639 2c2d 3130 3438 2e37 3920 3330 3369,-1048.79 30\n+0003b7a0: 3038 2e35 382c 2d31 3230 362e 3934 2031 08.58,-1206.94 1\n+0003b7b0: 3730 302e 3937 2c2d 3132 3231 2e34 3920 700.97,-1221.49 \n+0003b7c0: 3134 3633 2e32 322c 2d31 3232 322e 3833 1463.22,-1222.83\n+0003b7d0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0003b7e0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+0003b7f0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+0003b800: 6e74 733d 2231 3436 332e 3031 2c2d 3132 nts=\"1463.01,-12\n+0003b810: 3139 2e33 3320 3134 3533 2e30 322c 2d31 19.33 1453.02,-1\n+0003b820: 3232 322e 3838 2031 3436 332e 3034 2c2d 222.88 1463.04,-\n+0003b830: 3132 3236 2e33 3320 3134 3633 2e30 312c 1226.33 1463.01,\n+0003b840: 2d31 3231 392e 3333 222f 3e0a 3c2f 673e -1219.33\"/>.</g>\n+0003b850: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0003b860: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0003b870: 6f72 7926 2334 353b 2667 743b 6d6f 6475 ory->modu\n+0003b880: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0003b890: 6f70 6f6c 6f67 7920 2d2d 3e0a 3c67 2069 opology -->.<g i\n+0003b8a0: 643d 2265 6467 6534 3034 2220 636c 6173 d=\"edge404\" clas\n+0003b8b0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0003b8c0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0003b8d0: 6163 735f 7472 616a 6563 746f 7279 2623 acs_trajectory&#\n+0003b8e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003b8f0: 635f 6772 6f6d 6163 735f 746f 706f 6c6f c_gromacs_topolo\n+0003b900: 6779 3c2f 7469 746c 653e 0a3c 7061 7468 gy......module_\n+0003bb10: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+0003bb20: 6563 746f 7279 2623 3435 3b26 6774 3b6d ectory->m\n+0003bb30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003bb40: 735f 7574 696c 6974 793c 2f74 6974 6c65 s_utility</title\n+0003bb50: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0003bb60: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0003bb70: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0003bb80: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0003bb90: 3336 3634 2e37 2c2d 3433 2e30 3643 3336 3664.7,-43.06C36\n+0003bba0: 3637 2e35 352c 2d36 352e 3431 2033 3637 67.55,-65.41 367\n+0003bbb0: 332c 2d31 3133 2e34 3420 3336 3733 2c2d 3,-113.44 3673,-\n+0003bbc0: 3135 342e 3138 2033 3637 332c 2d36 3539 154.18 3673,-659\n+0003bbd0: 2e31 3420 3336 3733 2c2d 3635 392e 3134 .14 3673,-659.14\n+0003bbe0: 2033 3637 332c 2d36 3539 2e31 3420 3336 3673,-659.14 36\n+0003bbf0: 3733 2c2d 3735 342e 3520 3336 3537 2e33 73,-754.5 3657.3\n+0003bc00: 372c 2d37 3835 2e35 3520 3335 3938 2c2d 7,-785.55 3598,-\n+0003bc10: 3836 302e 3138 2033 3537 302e 3932 2c2d 860.18 3570.92,-\n+0003bc20: 3839 342e 3232 2033 3536 322e 3731 2c2d 894.22 3562.71,-\n+0003bc30: 3930 352e 3239 2033 3532 332c 2d39 3233 905.29 3523,-923\n+0003bc40: 2e30 3520 3331 3236 2e35 372c 2d31 3130 .05 3126.57,-110\n+0003bc50: 302e 3337 2032 3938 362e 3532 2c2d 3130 0.37 2986.52,-10\n+0003bc60: 3039 2e37 3920 3235 3534 2c2d 3130 3438 09.79 2554,-1048\n+0003bc70: 2e37 3920 3232 3732 2e38 342c 2d31 3037 .79 2272.84,-107\n+0003bc80: 342e 3134 2031 3933 322e 3837 2c2d 3130 4.14 1932.87,-10\n+0003bc90: 3930 2e35 3220 3138 3230 2e32 362c 2d31 90.52 1820.26,-1\n+0003bca0: 3039 352e 3537 222f 3e0a 3c70 6f6c 7967 095.57\"/>.<polyg\n+0003bcb0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+0003bcc0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+0003bcd0: 6322 2070 6f69 6e74 733d 2231 3831 392e c\" points=\"1819.\n+0003bce0: 3932 2c2d 3130 3932 2e30 3820 3138 3130 92,-1092.08 1810\n+0003bcf0: 2e30 382c 2d31 3039 362e 3032 2031 3832 .08,-1096.02 182\n+0003bd00: 302e 3233 2c2d 3130 3939 2e30 3720 3138 0.23,-1099.07 18\n+0003bd10: 3139 2e39 322c 2d31 3039 322e 3038 222f 19.92,-1092.08\"/\n+0003bd20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0003bd30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0003bd40: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+0003bd50: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+0003bd60: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0003bd70: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n+0003bd80: 6564 6765 3431 3522 2063 6c61 7373 3d22 edge415\" class=\"\n+0003bd90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0003bda0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003bdb0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+0003bdc0: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+0003bdd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0003bde0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n+0003bdf0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0003be00: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0003be10: 2220 643d 224d 3233 3731 2e31 332c 2d39 \" d=\"M2371.13,-9\n+0003be20: 3135 2e32 3143 3233 3532 2e35 372c 2d39 15.21C2352.57,-9\n+0003be30: 3137 2e38 3520 3233 3236 2e38 382c 2d39 17.85 2326.88,-9\n+0003be40: 3231 2e30 3220 3233 3034 2c2d 3932 332e 21.02 2304,-923.\n+0003be50: 3035 2031 3937 392e 3136 2c2d 3935 312e 05 1979.16,-951.\n+0003be60: 3833 2031 3538 362e 3136 2c2d 3936 362e 83 1586.16,-966.\n+0003be70: 3031 2031 3435 312e 3133 2c2d 3937 302e 01 1451.13,-970.\n+0003be80: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066 16\"/>.....module_src_grom\n+0003bf80: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0003bf90: 6573 5f61 7768 2623 3435 3b26 6774 3b6d es_awh->m\n+0003bfa0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003bfb0: 735f 746f 706f 6c6f 6779 3c2f 7469 746c s_topology......\n+0003c180: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003c190: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0003c1a0: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+0003c1b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003c1c0: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n+0003c1d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0003c380: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+0003c5a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0003c5b0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+0003c5c0: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+0003c5d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003c5e0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+0003c5f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+0003c700: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n+0003c800: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0003c810: 6573 5f61 7768 2623 3435 3b26 6774 3b6d es_awh->m\n+0003c820: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0003c830: 735f 7075 6c6c 696e 673c 2f74 6974 6c65 s_pulling...\n+0003ca10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+0003ca90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0003caa0: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+0003cab0: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+0003cac0: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n+0003cad0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......mo\n+0003cce0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0003ccf0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n+0003cd00: 6177 6826 2334 353b 2667 743b 6d6f 6475 awh->modu\n+0003cd10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0003cd20: 696d 696e 673c 2f74 6974 6c65 3e0a 3c70 iming.\n+0003cea0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n+0003cf70: 0a3c 6720 6964 3d22 6564 6765 3431 3422 ..<\n+0003cf90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0003cfa0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0003cfb0: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n+0003cfc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0003cfd0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0003cfe0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...\n+0003d0e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+0003d160: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0003d170: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+0003d180: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0003d190: 635f 6772 6f6d 6163 735f 7369 6d64 3c2f c_gromacs_simd</\n+0003d1a0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0003d1b0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0003d1c0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0003d1d0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0003d1e0: 2064 3d22 4d32 3336 392e 3237 2c2d 3930 d=\"M2369.27,-90\n+0003d1f0: 372e 3534 4332 3237 372e 3038 2c2d 3930 7.54C2277.08,-90\n+0003d200: 332e 3631 2031 3937 332c 2d38 3838 2e37 3.61 1973,-888.7\n+0003d210: 3320 3138 3830 2c2d 3836 302e 3138 2031 3 1880,-860.18 1\n+0003d220: 3736 392c 2d38 3236 2e31 2031 3731 302e 769,-826.1 1710.\n+0003d230: 3133 2c2d 3833 342e 3337 2031 3635 312c 13,-834.37 1651,\n+0003d240: 2d37 3334 2e34 3420 3136 3336 2e33 372c -734.44 1636.37,\n+0003d250: 2d37 3039 2e37 3220 3136 3538 2e34 382c -709.72 1658.48,\n+0003d260: 2d36 3939 2e32 3920 3136 3636 2c2d 3637 -699.29 1666,-67\n+0003d270: 312e 3537 2031 3731 312e 3737 2c2d 3530 1.57 1711.77,-50\n+0003d280: 322e 3920 3137 3139 2c2d 3435 362e 3639 2.9 1719,-456.69\n+0003d290: 2031 3731 392c 2d32 3831 2e39 3220 3137 1719,-281.92 17\n+0003d2a0: 3139 2c2d 3238 312e 3932 2031 3731 392c 19,-281.92 1719,\n+0003d2b0: 2d32 3831 2e39 3220 3137 3139 2c2d 3135 -281.92 1719,-15\n+0003d2c0: 342e 3138 2031 3731 392c 2d34 332e 3331 4.18 1719,-43.31\n+0003d2d0: 2031 3330 362e 3634 2c2d 3331 2e34 3620 1306.64,-31.46 \n+0003d2e0: 3131 3739 2e31 322c 2d33 302e 3434 222f 1179.12,-30.44\"/\n+0003d2f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0003d300: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0003d310: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0003d320: 733d 2231 3137 392e 3038 2c2d 3236 2e39 s=\"1179.08,-26.9\n+0003d330: 3420 3131 3639 2e30 362c 2d33 302e 3338 4 1169.06,-30.38\n+0003d340: 2031 3137 392e 3033 2c2d 3333 2e39 3420 1179.03,-33.94 \n+0003d350: 3131 3739 2e30 382c 2d32 362e 3934 222f 1179.08,-26.94\"/\n+0003d360: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0003d370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0003d380: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+0003d390: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+0003d3a0: 5f73 7263 5f67 726f 6d61 6373 5f72 616e _src_gromacs_ran\n+0003d3b0: 646f 6d20 2d2d 3e0a 3c67 2069 643d 2265 dom -->.<g id=\"e\n+0003d3c0: 6467 6534 3138 2220 636c 6173 733d 2265 dge418\" class=\"e\n+0003d3d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0003d3e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0003d3f0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+0003d400: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+0003d410: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+0003d420: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom.....\n+0003d5a0: 3c67 2069 643d 2265 6467 6534 3233 2220 .module_src_\n+0003d5d0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0003d5e0: 666f 7263 6573 5f61 7768 2623 3435 3b26 forces_awh-&\n+0003d5f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0003d600: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+0003d610: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "unified_diff": "@@ -68,15 +68,15 @@\n
\n
Module dependency graph
\n
\n
\n

\n

The graph below shows the dependencies between the source code modules, computed from include statements in the code. For documented modules (those that do not have a gray background), clicking on the module takes you to the module documentation. Legend for the graph can be found below the graph.

\n

\n-
\n+
\n

\n

\n Legend

\n

The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.

\n
\n
\n

Node colors:

\n"}, {"source1": "./usr/share/doc/gromacs/html/manual-2022.5-Debian_2022.5_2.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2022.5-Debian_2022.5_2.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17478,15 +17478,15 @@\n Karkoulis, Peter Kasson, Jiri Kraus, Per Larsson, Justin A. Lemkul, Viveca Lindahl, Erik Marklund,\n Pieter Meulenhoff, Vedran Miletic, Teemu Murtola, Sander Pronk, Alexey Shvetsov, Alfons Sijbers,\n Peter Tieleman, Jon Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf\n Project leaders: Paul Bauer, Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG\n Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2024:\n+\u00a9 2001 \u2013 2025:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala\n University, Sweden.\n This manual is not complete and has no pretension to be so due to lack of time of the contributors \u2013\n our first priority is to improve the software. It is worked on continuously, which in some cases might\n mean the information is not entirely correct.\n Comments on form and content are welcome, please send them to one of the mailing lists (see our\n webpage or this section on how to contribute (page 616)), or open an issue on our issue tracker.\n"}]}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "unified_diff": "@@ -59,15 +59,15 @@\n

Project leaders:\n Paul Bauer, Berk Hess, Erik Lindahl

\n

\u00a9 1991 \u2013 2000:

\n
\n

Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.

\n
\n-

\u00a9 2001 \u2013 2024:

\n+

\u00a9 2001 \u2013 2025:

\n
\n

The GROMACS development teams at the Royal Institute of Technology and\n Uppsala University, Sweden.

\n
\n

This manual is not complete and has no pretension to be so due\n to lack of time of the contributors \u2013 our first priority is to improve\n the software. It is worked on continuously,\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -31,15 +31,15 @@\n Marklund, Pieter Meulenhoff, Vedran Miletic, Teemu Murtola, Sander Pronk,\n Alexey Shvetsov, Alfons Sijbers, Peter Tieleman, Jon Vincent, Teemu Virolainen,\n Christian Wennberg, Maarten Wolf\n Project leaders: Paul Bauer, Berk Hess, Erik Lindahl\n \u00c2\u00a9 1991 \u00e2\u0080\u0093 2000:\n Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00c2\u00a9 2001 \u00e2\u0080\u0093 2024:\n+\u00c2\u00a9 2001 \u00e2\u0080\u0093 2025:\n The GROMACS development teams at the Royal Institute of Technology\n and Uppsala University, Sweden.\n This manual is not complete and has no pretension to be so due to lack of time\n of the contributors \u00e2\u0080\u0093 our first priority is to improve the software. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to one of the\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -822,15 +822,15 @@\n \"ftp\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 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79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327],\n- \"2024\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327],\n+ \"2025\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 158, 159, 160, 161, 162, 163, 164, 165, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 182, 183, 184, 185, 186, 187, 188, 189, 190, 191, 192, 193, 194, 195, 196, 197, 198, 199, 200, 201, 202, 203, 204, 205, 206, 207, 208, 209, 210, 211, 212, 213, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 226, 227, 228, 229, 230, 231, 232, 233, 234, 235, 236, 237, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 250, 251, 252, 253, 254, 255, 256, 257, 258, 259, 260, 261, 262, 263, 264, 265, 266, 267, 268, 269, 270, 271, 272, 273, 274, 275, 276, 277, 278, 279, 280, 281, 282, 283, 284, 285, 286, 287, 288, 289, 290, 291, 292, 293, 294, 295, 296, 297, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 309, 310, 311, 312, 313, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327],\n \"assum\": [1, 2, 7, 11, 20, 29, 31, 35, 39, 40, 44, 45, 47, 50, 52, 55, 64, 65, 68, 73, 75, 76, 82, 83, 88, 93, 96, 98, 100, 103, 107, 110, 119, 121, 130, 138, 140, 144, 145, 149, 151, 156, 160, 183, 185, 186, 188, 195, 196, 199, 217, 227, 230, 238, 239, 261, 294, 312, 317, 319, 321, 322, 323],\n \"reader\": [1, 7, 18, 19, 178, 183, 217, 317],\n \"alreadi\": [1, 2, 5, 20, 22, 29, 35, 39, 57, 124, 142, 151, 179, 186, 193, 196, 201, 211, 218, 224, 228, 231, 234, 238, 245, 250, 262, 286, 312, 313, 323, 324],\n \"familiar\": [1, 19, 142, 317, 326],\n \"revis\": [1, 181, 192],\n \"com\": [1, 2, 4, 5, 7, 10, 26, 29, 31, 34, 35, 39, 68, 93, 125, 127, 129, 133, 142, 150, 151, 160, 165, 181, 204, 218, 219, 220, 224, 231, 261, 279, 307, 309, 310, 323],\n \"account\": [1, 5, 22, 35, 36, 39, 43, 47, 52, 56, 57, 58, 59, 62, 78, 90, 94, 97, 107, 151, 155, 162, 177, 182, 185, 188, 196, 197, 205, 206, 233, 293, 295, 313, 321, 323],\n@@ -8080,15 +8080,14 @@\n \"parallez\": 219,\n \"flavour\": [219, 222],\n \"presum\": [219, 327],\n \"sm_60\": [219, 228],\n \"honour\": 219,\n \"gmx_maxconstrwarn\": [219, 312],\n \"2058\": 219,\n- \"2025\": 219,\n \"1ulp\": 219,\n \"wasn\": [219, 222, 238, 259, 294],\n \"4ulp\": 219,\n \"wallcycl\": [219, 323],\n \"2037\": [219, 235, 246],\n \"februari\": [220, 223, 236, 246, 251, 267, 297, 302],\n \"weakli\": [220, 228, 284],\n@@ -8449,14 +8448,15 @@\n \"atomnumb\": 238,\n \"2268\": 238,\n \"2318\": 238,\n \"ctrl\": [238, 320, 322],\n \"2322\": 238,\n \"uniq\": 238,\n \"2313\": 238,\n+ \"2024\": 238,\n \"read_first_x\": 238,\n \"2157\": 238,\n \"2339\": 238,\n \"2170\": 238,\n \"2225\": 238,\n \"2333\": 238,\n \"1063\": [239, 240],\n"}]}]}]}]}]}