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7479 7065 733c 2f74 6578 743e 0a3c 2f67 types...\n+00001dd0: 3c67 2069 643d 2265 6467 6533 2220 636c .module_src_gr\n+00001e00: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00001e10: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00001e20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00001e30: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00001e40: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00001fd0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00001fe0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00001ff0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00002000: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline...\n+00002280: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+000022d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000022e0: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+000022f0: 3c67 2069 643d 2261 5f6e 6f64 6533 3122 ..options.....\n+00002470: 3c67 2069 643d 2265 6467 6534 2220 636c .module_src_gr\n+000024a0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+000024b0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+000024c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000024d0: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+000024e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n+000026f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00002700: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+00002710: 0a3c 6720 6964 3d22 615f 6e6f 6465 3338 ...domdec.....<\n+00002890: 6720 6964 3d22 6564 6765 3522 2063 6c61 g id=\"edge5\" cla\n+000028a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.module_src_gro\n+000028c0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+000028d0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000028e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000028f0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..\n+00002a70: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00002ac0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00002ad0: 7761 6c64 3c2f 7469 746c 653e 0a3c 6720 wald...ewald......modu\n+00002c80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00002c90: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00002ca0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00002cb0: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n+00002cc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00002cd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00002ce0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00002cf0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00002d00: 2064 3d22 4d31 3137 352e 3535 2c2d 3130 d=\"M1175.55,-10\n+00002d10: 3332 2e32 4331 3237 382e 3234 2c2d 3130 32.2C1278.24,-10\n+00002d20: 3237 2e36 3320 3135 3035 2e39 322c 2d31 27.63 1505.92,-1\n+00002d30: 3031 342e 3931 2031 3639 352e 3536 2c2d 014.91 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5f6d 6472 _src_gromacs_mdr\n+00002f10: 756e 7574 696c 6974 793c 2f74 6974 6c65 unutility</title\n+00002f20: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534 >.<g id=\"a_node4\n+00002f30: 3222 3e3c 6120 786c 696e 6b3a 6872 6566 2\"><a xlink:href\n+00002f40: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n+00002f50: 5f6d 6472 756e 7574 696c 6974 792e 7868 _mdrunutility.xh\n+00002f60: 746d 6c22 2074 6172 6765 743d 225f 746f tml\" target=\"_to\n+00002f70: 7022 2078 6c69 6e6b 3a74 6974 6c65 3d22 p\" xlink:title=\"\n+00002f80: 6d64 7275 6e75 7469 6c69 7479 223e 0a3c mdrunutility\">.<\n+00002f90: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+00002fa0: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n+00002fb0: 6c61 636b 2220 6378 3d22 3131 3632 2e35 lack\" cx=\"1162.5\n+00002fc0: 3622 2063 793d 222d 3430 362e 3636 2220 6\" cy=\"-406.66\" \n+00002fd0: 7278 3d22 3437 2e32 3522 2072 793d 2231 rx=\"47.25\" ry=\"1\n+00002fe0: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+00002ff0: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+00003000: 6522 2078 3d22 3131 3632 2e35 3622 2079 e\" x=\"1162.56\" y\n+00003010: 3d22 2d34 3034 2e31 3622 2066 6f6e 742d =\"-404.16\" font-\n+00003020: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+00003030: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+00003040: 3030 223e 6d64 7275 6e75 7469 6c69 7479 00\">mdrunutility\n+00003050: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 </text>.</a>.</g\n+00003060: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00003070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00003080: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00003090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000030a0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+000030b0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n+000030c0: 2265 6467 6539 2220 636c 6173 733d 2265 \"edge9\" class=\"e\n+000030d0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000030e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000030f0: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n+00003100: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00003110: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00003120: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n+00003130: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00003140: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00003150: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00003160: 6179 3d22 352c 3222 2064 3d22 4d31 3039 ay=\"5,2\" d=\"M109\n+00003170: 352e 3631 2c2d 3130 3233 2e32 3443 3130 5.61,-1023.24C10\n+00003180: 3632 2e32 332c 2d31 3030 362e 3831 2031 62.23,-1006.81 1\n+00003190: 3030 342e 3434 2c2d 3937 322e 3535 2039 004.44,-972.55 9\n+000031a0: 3830 2e35 362c 2d39 3233 2e30 3520 3936 80.56,-923.05 96\n+000031b0: 332e 3233 2c2d 3838 372e 3133 2039 3732 3.23,-887.13 972\n+000031c0: 2e31 382c 2d38 3732 2e33 2039 3830 2e35 .18,-872.3 980.5\n+000031d0: 362c 2d38 3333 2e33 3120 3130 3036 2e35 6,-833.31 1006.5\n+000031e0: 2c2d 3731 322e 3631 2031 3031 322e 3234 ,-712.61 1012.24\n+000031f0: 2c2d 3637 302e 3120 3130 3938 2e35 362c ,-670.1 1098.56,\n+00003200: 2d35 3831 2e38 3320 3131 3231 2e36 352c -581.83 1121.65,\n+00003210: 2d35 3538 2e32 3220 3131 3436 2e37 392c -558.22 1146.79,\n+00003220: 2d35 3734 2e32 3820 3131 3633 2e35 362c -574.28 1163.56,\n+00003230: 2d35 3435 2e38 3320 3131 3834 2e37 332c -545.83 1184.73,\n+00003240: 2d35 3039 2e39 3120 3131 3736 2e36 392c -509.91 1176.69,\n+00003250: 2d34 3539 2e30 3820 3131 3639 2e33 352c -459.08 1169.35,\n+00003260: 2d34 3330 2e31 3422 2f3e 0a3c 706f 6c79 -430.14\"/>..<\n+000032e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00003330: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00003340: 7370 616e 3c2f 7469 746c 653e 0a3c 656c span..\n+00003400: 6d64 7370 616e 3c2f 7465 7874 3e0a 3c2f mdspan...\n+00003460: 3c67 2069 643d 2265 6467 6531 3122 2063 .module_src_g\n+00003490: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+000034a0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+000034b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000034c0: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n+000034d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+000036e0: 0a3c 6720 6964 3d22 6e6f 6465 3435 2220 ..module_src_\n+00003710: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib..\n+00003780: 3c74 6578 7420 7465 7874 2d61 6e63 686f gmxl\n+000037e0: 6962 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ib..<\n+000037f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00003800: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00003810: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00003820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00003830: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069 _gmxlib -->..m\n+00003860: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00003870: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00003880: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00003890: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+000038a0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......module_src_gro\n+00003a70: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio..fileio....module_\n+00003bc0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00003bd0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+00003be0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00003bf0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+00003c00: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00003c10: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00003c20: 6266 6266 6266 2220 643d 224d 3131 3331 bfbfbf\" d=\"M1131\n+00003c30: 2e39 312c 2d31 3032 322e 3036 4331 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12\n+00003d20: 3432 2e38 362c 2d36 3630 2e31 3520 3132 42.86,-660.15 12\n+00003d30: 3434 2e31 2c2d 3636 372e 3034 222f 3e0a 44.1,-667.04\"/>.\n+00003d40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00003d50: 5f73 7263 5f67 726f 6d61 6373 5f61 6e61 _src_gromacs_ana\n+00003d60: 6c79 7369 7364 6174 6120 2d2d 3e0a 3c67 lysisdata -->.<g\n+00003d70: 2069 643d 226e 6f64 6533 2220 636c 6173 id=\"node3\" clas\n+00003d80: 733d 226e 6f64 6522 3e0a 3c74 6974 6c65 s=\"node\">.<title\n+00003d90: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00003da0: 6163 735f 616e 616c 7973 6973 6461 7461 acs_analysisdata\n+00003db0: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...analys\n+00003ee0: 6973 6461 7461 3c2f 7465 7874 3e0a 3c2f isdata......modu\n+00003f70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00003f80: 6e61 6c79 7369 7364 6174 6126 2334 353b nalysisdata-\n+00003f90: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00003fa0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n+00003fb0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00003fc0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00003fd0: 2362 6662 6662 6622 2064 3d22 4d31 3638 #bfbfbf\" d=\"M168\n+00003fe0: 362c 2d37 3134 2e31 3143 3135 3937 2e33 6,-714.11C1597.3\n+00003ff0: 342c 2d37 3032 2e31 3220 3133 3937 2e33 4,-702.12 1397.3\n+00004000: 392c 2d36 3735 2e30 3720 3133 3135 2e35 9,-675.07 1315.5\n+00004010: 332c 2d36 3634 222f 3e0a 3c70 6f6c 7967 3,-664\"/>.<polyg\n+00004020: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00004030: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00004040: 6622 2070 6f69 6e74 733d 2231 3331 352e f\" points=\"1315.\n+00004050: 3632 2c2d 3636 302e 3438 2031 3330 352e 62,-660.48 1305.\n+00004060: 3234 2c2d 3636 322e 3631 2031 3331 342e 24,-662.61 1314.\n+00004070: 3638 2c2d 3636 372e 3432 2031 3331 352e 68,-667.42 1315.\n+00004080: 3632 2c2d 3636 302e 3438 222f 3e0a 3c2f 62,-660.48\"/>.</\n+00004090: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000040a0: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n+000040b0: 7374 6963 7320 2d2d 3e0a 3c67 2069 643d stics -->.<g id=\n+000040c0: 226e 6f64 6534 2220 636c 6173 733d 226e \"node4\" class=\"n\n+000040d0: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+000040e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000040f0: 7374 6174 6973 7469 6373 3c2f 7469 746c statistics</titl\n+00004100: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+00004110: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00004120: 653d 2262 6c61 636b 2220 6378 3d22 3230 e=\"black\" cx=\"20\n+00004130: 3333 2e35 3622 2063 793d 222d 3732 312e 33.56\" cy=\"-721.\n+00004140: 3031 2220 7278 3d22 3339 2e37 2220 7279 01\" rx=\"39.7\" ry\n+00004150: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n+00004160: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n+00004170: 6464 6c65 2220 783d 2232 3033 332e 3536 ddle\" x=\"2033.56\n+00004180: 2220 793d 222d 3731 382e 3531 2220 666f \" y=\"-718.51\" fo\n+00004190: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n+000041a0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n+000041b0: 3130 2e30 3022 3e73 7461 7469 7374 6963 10.00\">statistic\n+000041c0: 733c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 s</text>.</g>.<!\n+000041d0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000041e0: 6f6d 6163 735f 636f 6d70 6174 202d 2d3e omacs_compat -->\n+000041f0: 0a3c 6720 6964 3d22 6e6f 6465 3522 2063 .<g id=\"node5\" c\n+00004200: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+00004210: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00004220: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74 romacs_compat</t\n+00004230: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n+00004240: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00004250: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+00004260: 2237 3831 2e35 3622 2063 793d 222d 3238 \"781.56\" cy=\"-28\n+00004270: 302e 3932 2220 7278 3d22 3334 2e38 2220 0.92\" rx=\"34.8\" \n+00004280: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+00004290: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+000042a0: 6d69 6464 6c65 2220 783d 2237 3831 2e35 middle\" x=\"781.5\n+000042b0: 3622 2079 3d22 2d32 3738 2e34 3222 2066 6\" y=\"-278.42\" f\n+000042c0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+000042d0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+000042e0: 2231 302e 3030 223e 636f 6d70 6174 3c2f \"10.00\">compat</\n+000042f0: 7465 7874 3e0a 3c2f 673e 0a3c 212d 2d20 text>.</g>.<!-- \n+00004300: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004310: 6373 5f74 6f6f 6c73 202d 2d3e 0a3c 6720 cs_tools -->.<g \n+00004320: 6964 3d22 6e6f 6465 3622 2063 6c61 7373 id=\"node6\" class\n+00004330: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00004340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00004350: 6373 5f74 6f6f 6c73 3c2f 7469 746c 653e cs_tools\n+00004360: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..tools.\n+00004420: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+00004490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000044a0: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+000044b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000044c0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......<\n+00004640: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00004650: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+00004660: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00004670: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+00004680: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n+000048e0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+000048f0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+00004900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00004910: 6d78 7072 6570 726f 6365 7373 3c2f 7469 mxpreprocess</ti\n+00004920: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00004930: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00004940: 6266 6266 6266 2220 643d 224d 3133 3932 bfbfbf\" d=\"M1392\n+00004950: 2e36 362c 2d31 3134 382e 3037 4331 3338 .66,-1148.07C138\n+00004960: 372e 3431 2c2d 3131 3430 2e30 3920 3133 7.41,-1140.09 13\n+00004970: 3830 2e33 392c 2d31 3132 392e 3420 3133 80.39,-1129.4 13\n+00004980: 3734 2e32 352c 2d31 3132 302e 3036 222f 74.25,-1120.06\"/\n+00004990: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000049a0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+000049b0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+000049c0: 733d 2231 3337 372e 3134 2c2d 3131 3138 s=\"1377.14,-1118\n+000049d0: 2e30 3820 3133 3638 2e37 322c 2d31 3131 .08 1368.72,-111\n+000049e0: 312e 3634 2031 3337 312e 3239 2c2d 3131 1.64 1371.29,-11\n+000049f0: 3231 2e39 3220 3133 3737 2e31 342c 2d31 21.92 1377.14,-1\n+00004a00: 3131 382e 3038 222f 3e0a 3c2f 673e 0a3c 118.08\"/>.</g>.<\n+00004a10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00004a20: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00004a30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00004a40: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00004a50: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00004a60: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n+00004a70: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00004a80: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+00004a90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00004aa0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00004ab0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module_\n+00004cc0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+00004cd0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00004ce0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00004cf0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+00004d00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+00004f10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00004f20: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00004f30: 7263 6573 202d 2d3e 0a3c 6720 6964 3d22 rces -->..mod\n+00004f60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00004f70: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces</t\n+00004f80: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n+00004f90: 6f64 6532 3322 3e3c 6120 786c 696e 6b3a ode23\"><a xlink:\n+00004fa0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+00004fb0: 756c 655f 5f6c 6973 7465 645f 5f66 6f72 ule__listed__for\n+00004fc0: 6365 732e 7868 746d 6c22 2074 6172 6765 ces.xhtml\" targe\n+00004fd0: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n+00004fe0: 6974 6c65 3d22 6c69 7374 6564 5f66 6f72 itle=\"listed_for\n+00004ff0: 6365 7322 3e0a 3c65 6c6c 6970 7365 2066 ces\">.<ellipse f\n+00005000: 696c 6c3d 2223 6535 6363 6666 2220 7374 ill=\"#e5ccff\" st\n+00005010: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+00005020: 2231 3634 362e 3536 2220 6379 3d22 2d32 \"1646.56\" cy=\"-2\n+00005030: 3138 2e30 3522 2072 783d 2235 302e 3832 18.05\" rx=\"50.82\n+00005040: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c \" ry=\"13.37\"/>.<\n+00005050: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00005060: 3d22 6d69 6464 6c65 2220 783d 2231 3634 =\"middle\" x=\"164\n+00005070: 362e 3536 2220 793d 222d 3231 352e 3535 6.56\" y=\"-215.55\n+00005080: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n+00005090: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n+000050a0: 7a65 3d22 3130 2e30 3022 3e6c 6973 7465 ze=\"10.00\">liste\n+000050b0: 645f 666f 7263 6573 3c2f 7465 7874 3e0a d_forces</text>.\n+000050c0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+000050d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000050e0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+000050f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00005100: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00005110: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->.<g id=\n+00005120: 2265 6467 6532 3322 2063 6c61 7373 3d22 \"edge23\" class=\"\n+00005130: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00005140: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00005150: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+00005160: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005170: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+00005180: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00005190: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000051a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000051b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000051c0: 2220 643d 224d 3134 3236 2e39 362c 2d31 \" d=\"M1426.96,-1\n+000051d0: 3135 372e 3934 4331 3531 372e 3839 2c2d 157.94C1517.89,-\n+000051e0: 3131 3439 2e38 3120 3138 3132 2e35 362c 1149.81 1812.56,\n+000051f0: 2d31 3131 372e 3220 3138 3132 2e35 362c -1117.2 1812.56,\n+00005200: 2d31 3033 362e 3336 2031 3831 322e 3536 -1036.36 1812.56\n+00005210: 2c2d 3130 3336 2e33 3620 3138 3132 2e35 ,-1036.36 1812.5\n+00005220: 362c 2d31 3033 362e 3336 2031 3831 322e 6,-1036.36 1812.\n+00005230: 3536 2c2d 3834 352e 3735 2031 3831 322e 56,-845.75 1812.\n+00005240: 3536 2c2d 3631 362e 3332 2031 3839 362e 56,-616.32 1896.\n+00005250: 3437 2c2d 3535 332e 3131 2031 3834 312e 47,-553.11 1841.\n+00005260: 3536 2c2d 3333 302e 3335 2031 3833 342e 56,-330.35 1834.\n+00005270: 3031 2c2d 3239 392e 3731 2031 3833 322e 01,-299.71 1832.\n+00005280: 3932 2c2d 3238 372e 3534 2031 3830 382e 92,-287.54 1808.\n+00005290: 3536 2c2d 3236 372e 3438 2031 3737 382e 56,-267.48 1778.\n+000052a0: 3939 2c2d 3234 332e 3133 2031 3733 372e 99,-243.13 1737.\n+000052b0: 3437 2c2d 3233 312e 3031 2031 3730 332e 47,-231.01 1703.\n+000052c0: 3837 2c2d 3232 342e 3939 222f 3e0a 3c70 87,-224.99\"/>.<p\n+000052d0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000052e0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+000052f0: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00005300: 3730 342e 3135 2c2d 3232 312e 3439 2031 704.15,-221.49 1\n+00005310: 3639 332e 3732 2c2d 3232 332e 3331 2031 693.72,-223.31 1\n+00005320: 3730 332e 3031 2c2d 3232 382e 3420 3137 703.01,-228.4 17\n+00005330: 3034 2e31 352c 2d32 3231 2e34 3922 2f3e 04.15,-221.49\"/>\n+00005340: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00005350: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00005360: 7275 6e20 2d2d 3e0a 3c67 2069 643d 226e run -->.<g id=\"n\n+00005370: 6f64 6532 3522 2063 6c61 7373 3d22 6e6f ode25\" class=\"no\n+00005380: 6465 223e 0a3c 7469 746c 653e 6d6f 6475 de\">.<title>modu\n+00005390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000053a0: 6472 756e 3c2f 7469 746c 653e 0a3c 6720 drun...m\n+000054c0: 6472 756e 3c2f 7465 7874 3e0a 3c2f 613e drun.\n+000054d0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_gro\n-00005550: 6d61 6373 5f70 756c 6c69 6e67 3c2f 7469 macs_pulling..pullin\n-00005620: 673c 2f74 6578 743e 0a3c 2f67 3e0a 3c21 g....\n-00005690: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-000056a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-000056b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000056c0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n-000056d0: 6e67 3c2f 7469 746c 653e 0a3c 7061 7468 ng...\n-00005890: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-000058d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000058e0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-000058f0: 6f3c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 o..\n-00005950: 3c74 6578 7420 7465 7874 2d61 6e63 686f file\n-000059b0: 696f 3c2f 7465 7874 3e0a 3c2f 673e 0a3c io..<\n-000059c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000059d0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-000059e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000059f0: 6772 6f6d 6163 735f 6669 6c65 696f 202d gromacs_fileio -\n-00005a00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->..\n-00005a20: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00005a30: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00005a40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00005a50: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00005a60: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......module_\n-00005c90: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00005ca0: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n-00005cb0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534 >.<g id=\"a_node4\n-00005cc0: 3622 3e3c 6120 786c 696e 6b3a 6872 6566 6\"><a xlink:href\n-00005cd0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n-00005ce0: 5f6c 6973 7465 645f 5f66 6f72 6365 732e _listed__forces.\n-00005cf0: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-00005d00: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-00005d10: 3d22 6c69 7374 6564 5f66 6f72 6365 7322 =\"listed_forces\"\n-00005d20: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00005d30: 2223 6535 6363 6666 2220 7374 726f 6b65 \"#e5ccff\" stroke\n-00005d40: 3d22 626c 6163 6b22 2063 783d 2231 3939 =\"black\" cx=\"199\n-00005d50: 352e 3536 2220 6379 3d22 2d32 3830 2e39 5.56\" cy=\"-280.9\n-00005d60: 3222 2072 783d 2235 302e 3832 2220 7279 2\" rx=\"50.82\" ry\n-00005d70: 3d22 3133 2e33 3722 2f3e 0a3c 7465 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class=\"edge\n-00005e60: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00005e70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00005e80: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00005e90: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-00005ea0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n-00005eb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00005ec0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00005ed0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00005ee0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00005ef0: 224d 3135 3933 2e37 352c 2d37 3830 2e33 \"M1593.75,-780.3\n-00005f00: 3343 3136 3932 2e39 312c 2d37 3731 2e33 3C1692.91,-771.3\n-00005f10: 3820 3230 3036 2e34 342c 2d37 3338 2e32 8 2006.44,-738.2\n-00005f20: 3520 3230 3738 2e35 362c 2d36 3731 2e35 5 2078.56,-671.5\n-00005f30: 3720 3231 3038 2e35 362c 2d36 3433 2e38 7 2108.56,-643.8\n-00005f40: 3320 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le_src_gromacs_e\n-00006ba0: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-00006bb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00006bc0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-00006bd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n-00006d80: 6720 6964 3d22 6564 6765 3336 2220 636c g id=\"edge36\" cl\n-00006d90: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-00006db0: 6f6d 6163 735f 6577 616c 6426 2334 353b omacs_ewald-\n-00006dc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00006dd0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-00006de0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n-00006e50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n-00006ec0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n-00006f30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00006f40: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-00006f50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00006f60: 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3138 2e31 372c 2d32 3331 2e34 3220 2218.17,-231.42 \n-00007540: 3232 3231 2e38 322c 2d32 3431 2e33 3720 2221.82,-241.37 \n-00007550: 3232 3237 2e32 332c 2d32 3336 2e39 3322 2227.23,-236.93\"\n-00007560: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_grom\n-000075e0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n-000075f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00007600: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes...<\n-000076f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-00007760: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00007770: 7761 6c64 2623 3435 3b26 6774 3b6d 6f64 wald->mod\n-00007780: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007790: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-000077a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000077b0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000077c0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" 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6e75 7469 6c69 omacs_mdrunutili\n-00007f70: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty...\n-000080d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-00008120: 0a3c 6720 6964 3d22 6564 6765 3431 2220 ..module_src_\n-00008150: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-00008160: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n-00008170: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00008180: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-00008190: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n-00008370: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00008380: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n-00008390: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000083a0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-000083b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-00008450: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00008460: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" 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6373 dule_src_gromacs\n-00008a60: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n-00008a70: 6373 202d 2d3e 0a3c 6720 6964 3d22 6564 cs -->..modul\n-00008aa0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-00008ab0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-00008ac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00008ad0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-00008ae0: 6c64 796e 616d 6963 733c 2f74 6974 6c65 ldynamics</title\n-00008af0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00008b00: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00008b10: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00008b20: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00008b30: 3135 3935 2e38 312c 2d33 3335 2e38 3543 1595.81,-335.85C\n-00008b40: 3135 3831 2e32 342c 2d33 3333 2e39 3320 1581.24,-333.93 \n-00008b50: 3135 3635 2e32 382c 2d33 3331 2e39 3420 1565.28,-331.94 \n-00008b60: 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635f <!-- module_src_\n-0000b0c0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-0000b0d0: 7279 202d 2d3e 0a3c 6720 6964 3d22 6e6f ry -->.<g id=\"no\n-0000b0e0: 6465 3437 2220 636c 6173 733d 226e 6f64 de47\" class=\"nod\n-0000b0f0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000b100: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n-0000b110: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n-0000b120: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..trajectory...\n-0000b4c0: 3c67 2069 643d 226e 6f64 6531 3322 2063 .module_src_g\n-0000b4f0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0000b500: 7961 6e61 6c79 7369 733c 2f74 6974 6c65 yanalysis...\n-0000b640: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-0000b650: 6973 3c2f 7465 7874 3e0a 3c2f 613e 0a3c is..<\n-0000b660: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>....module_src_gro\n-0000b6f0: 6d61 6373 5f74 7261 6a65 6374 6f72 7961 macs_trajectorya\n-0000b700: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n-0000b710: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b720: 6373 5f73 7461 7469 7374 6963 733c 2f74 cs_statistics....<\n-0000b830: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b840: 726f 6d61 6373 5f63 6f6f 7264 696e 6174 romacs_coordinat\n-0000b850: 6569 6f20 2d2d 3e0a 3c67 2069 643d 226e eio -->..modu\n-0000b880: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0000b890: 6f6f 7264 696e 6174 6569 6f3c 2f74 6974 oordinateio</tit\n-0000b8a0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-0000b8b0: 6531 3822 3e3c 6120 786c 696e 6b3a 6872 e18\"><a xlink:hr\n-0000b8c0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n-0000b8d0: 655f 5f63 6f6f 7264 696e 6174 6569 6f2e e__coordinateio.\n-0000b8e0: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-0000b8f0: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-0000b900: 3d22 636f 6f72 6469 6e61 7465 696f 223e 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ass=\"edge\">.module_src_gr\n+00005c00: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00005c10: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00005c20: 726f 6d61 6373 5f66 6674 3c2f 7469 746c romacs_fft..\n+00005e20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n+00005f00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005f10: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+00005f20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00005f30: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n+00005f40: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .....<\n+00006140: 6720 6964 3d22 6564 6765 3234 2220 636c g id=\"edge24\" cl\n+00006150: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00006170: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+00006180: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00006190: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib......<\n+00006400: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00006410: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n+00006420: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00006430: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00006440: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+000065f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+00006640: 6720 6964 3d22 6564 6765 3236 2220 636c g id=\"edge26\" cl\n+00006650: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00006670: 6f6d 6163 735f 6861 7264 7761 7265 2623 omacs_hardware&#\n+00006680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00006690: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+000066a0: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......<\n+000067d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000067e0: 5f67 726f 6d61 6373 5f74 6f70 6f6c 6f67 _gromacs_topolog\n+000067f0: 793c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 y..t\n+000068b0: 6f70 6f6c 6f67 793c 2f74 6578 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6173 id=\"edge41\" clas\n+00007ee0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00007ef0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00007f00: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+00007f10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007f20: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00007f30: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...\n+00008180: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+000081f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00008200: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00008210: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008220: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00008230: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00008240: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+00008250: 2064 3d22 4d38 3133 2e31 372c 2d39 3633 d=\"M813.17,-963\n+00008260: 2e30 3243 3833 352e 3133 2c2d 3935 332e .02C835.13,-953.\n+00008270: 3832 2038 3730 2e37 372c 2d39 3338 2e33 82 870.77,-938.3\n+00008280: 3720 3930 302e 3536 2c2d 3932 332e 3035 7 900.56,-923.05\n+00008290: 2039 3336 2e39 312c 2d39 3034 2e33 3620 936.91,-904.36 \n+000082a0: 3937 372e 3431 2c2d 3838 302e 3133 2031 977.41,-880.13 1\n+000082b0: 3030 332e 3136 2c2d 3836 342e 3237 222f 003.16,-864.27\"/\n+000082c0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+000082d0: 2272 6564 2220 7374 726f 6b65 3d22 7265 \"red\" stroke=\"re\n+000082e0: 6422 2070 6f69 6e74 733d 2231 3030 352e d\" points=\"1005.\n+000082f0: 3239 2c2d 3836 372e 3038 2031 3031 312e 29,-867.08 1011.\n+00008300: 3935 2c2d 3835 382e 3834 2031 3030 312e 95,-858.84 1001.\n+00008310: 362c 2d38 3631 2e31 3220 3130 3035 2e32 6,-861.12 1005.2\n+00008320: 392c 2d38 3637 2e30 3822 2f3e 0a3c 2f67 9,-867.08\"/>.</g\n+00008330: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00008340: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00008350: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008360: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+00008370: 6374 6f72 7920 2d2d 3e0a 3c67 2069 643d ctory -->.<g id=\n+00008380: 2265 6467 6534 3322 2063 6c61 7373 3d22 \"edge43\" class=\"\n+00008390: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000083a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000083b0: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+000083c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000083d0: 735f 7472 616a 6563 746f 7279 3c2f 7469 s_trajectory</ti\n+000083e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000083f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00008400: 6266 6266 6266 2220 643d 224d 3832 302e bfbfbf\" d=\"M820.\n+00008410: 3837 2c2d 3937 312e 3731 4339 3533 2e34 87,-971.71C953.4\n+00008420: 312c 2d39 3732 2e35 3220 3135 3038 2e35 1,-972.52 1508.5\n+00008430: 352c 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,-657.01 1732.15\n+00008520: 2c2d 3633 3420 3137 3433 2e35 312c 2d36 ,-634 1743.51,-6\n+00008530: 3137 2e32 3522 2f3e 0a3c 706f 6c79 676f 17.25\"/>.<polygo\n+00008540: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00008550: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00008560: 2220 706f 696e 7473 3d22 3137 3436 2e35 \" points=\"1746.5\n+00008570: 382c 2d36 3138 2e39 3620 3137 3439 2e31 8,-618.96 1749.1\n+00008580: 342c 2d36 3038 2e36 3720 3137 3430 2e37 4,-608.67 1740.7\n+00008590: 332c 2d36 3135 2e31 3220 3137 3436 2e35 3,-615.12 1746.5\n+000085a0: 382c 2d36 3138 2e39 3622 2f3e 0a3c 2f67 8,-618.96\"/>.</g\n+000085b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000085c0: 635f 6772 6f6d 6163 735f 696d 6420 2d2d c_gromacs_imd --\n+000085d0: 3e0a 3c67 2069 643d 226e 6f64 6533 3522 >.<g id=\"node35\"\n+000085e0: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+000085f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00008600: 5f67 726f 6d61 6373 5f69 6d64 3c2f 7469 _gromacs_imd</ti\n+00008610: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n+00008620: 6465 3335 223e 3c61 2078 6c69 6e6b 3a68 de35\"><a xlink:h\n+00008630: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n+00008640: 6c65 5f5f 696d 642e 7868 746d 6c22 2074 le__imd.xhtml\" t\n+00008650: 6172 6765 743d 225f 746f 7022 2078 6c69 arget=\"_top\" xli\n+00008660: 6e6b 3a74 6974 6c65 3d22 696d 6422 3e0a nk:title=\"imd\">.\n+00008670: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n+00008680: 6535 6363 6666 2220 7374 726f 6b65 3d22 e5ccff\" stroke=\"\n+00008690: 626c 6163 6b22 2063 783d 2234 3832 2e35 black\" cx=\"482.5\n+000086a0: 3622 2063 793d 222d 3238 302e 3932 2220 6\" cy=\"-280.92\" \n+000086b0: 7278 3d22 3237 2220 7279 3d22 3133 2e33 rx=\"27\" ry=\"13.3\n+000086c0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n+000086d0: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n+000086e0: 783d 2234 3832 2e35 3622 2079 3d22 2d32 x=\"482.56\" y=\"-2\n+000086f0: 3738 2e34 3222 2066 6f6e 742d 6661 6d69 78.42\" font-fami\n+00008700: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n+00008710: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n+00008720: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a imd</text>.</a>.\n+00008730: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d </g>.</g>.<!-- m\n+00008740: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008750: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00008760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008770: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964 cs_imd -->.<g id\n+00008780: 3d22 6564 6765 3436 2220 636c 6173 733d =\"edge46\" class=\n+00008790: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000087a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000087b0: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+000087c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000087d0: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c cs_imd.<\n+000087e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000087f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00008800: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00008810: 6179 3d22 352c 3222 2064 3d22 4d37 3634 ay=\"5,2\" d=\"M764\n+00008820: 2e33 332c 2d39 3731 2e30 3343 3732 312e .33,-971.03C721.\n+00008830: 3732 2c2d 3936 392e 3231 2036 3430 2e39 72,-969.21 640.9\n+00008840: 382c 2d39 3630 2e37 3720 3538 362e 3536 8,-960.77 586.56\n+00008850: 2c2d 3932 332e 3035 2034 3937 2e34 342c ,-923.05 497.44,\n+00008860: 2d38 3631 2e32 3920 3337 392e 3536 2c2d -861.29 379.56,-\n+00008870: 3538 312e 3336 2033 3739 2e35 362c 2d35 581.36 379.56,-5\n+00008880: 3333 2e34 2033 3739 2e35 362c 2d35 3333 33.4 379.56,-533\n+00008890: 2e34 2033 3739 2e35 362c 2d35 3333 2e34 .4 379.56,-533.4\n+000088a0: 2033 3739 2e35 362c 2d34 3638 2e35 3320 379.56,-468.53 \n+000088b0: 3337 392e 3536 2c2d 3430 302e 3320 3433 379.56,-400.3 43\n+000088c0: 302e 3239 2c2d 3333 312e 3631 2034 3630 0.29,-331.61 460\n+000088d0: 2e37 382c 2d32 3939 2e39 3522 2f3e 0a3c .78,-299.95\"/>.<\n+000088e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+000088f0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00008900: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00008910: 3436 332e 3433 2c2d 3330 322e 3236 2034 463.43,-302.26 4\n+00008920: 3638 2e30 352c 2d32 3932 2e37 3320 3435 68.05,-292.73 45\n+00008930: 382e 3439 2c2d 3239 372e 3239 2034 3633 8.49,-297.29 463\n+00008940: 2e34 332c 2d33 3032 2e32 3622 2f3e 0a3c .43,-302.26\"/>.<\n+00008950: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+000089c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000089d0: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+000089e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000089f0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+00008a00: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00008a10: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00008a20: 2220 643d 224d 3736 342e 362c 2d39 3639 \" d=\"M764.6,-969\n+00008a30: 2e38 4337 3333 2e35 352c 2d39 3636 2e33 .8C733.55,-966.3\n+00008a40: 3120 3638 352e 3535 2c2d 3935 352e 3634 1 685.55,-955.64\n+00008a50: 2036 3633 2e35 362c 2d39 3233 2e30 3520 663.56,-923.05 \n+00008a60: 3632 352e 3336 2c2d 3836 362e 3434 2036 625.36,-866.44 6\n+00008a70: 3635 2e32 322c 2d38 3336 2e37 3520 3638 65.22,-836.75 68\n+00008a80: 312e 3536 2c2d 3737 302e 3434 2037 3039 1.56,-770.44 709\n+00008a90: 2e38 392c 2d36 3535 2e34 3720 3638 352e .89,-655.47 685.\n+00008aa0: 3438 2c2d 3630 322e 3334 2037 3639 2e35 48,-602.34 769.5\n+00008ab0: 362c 2d35 3138 2e39 3620 3739 352e 3138 6,-518.96 795.18\n+00008ac0: 2c2d 3439 332e 3536 2038 3335 2e32 312c ,-493.56 835.21,\n+00008ad0: 2d34 3831 2e33 3420 3836 362e 3231 2c2d -481.34 866.21,-\n+00008ae0: 3437 352e 3535 222f 3e0a 3c70 6f6c 7967 475.55\"/>...<\n+00008b60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00008b70: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+00008b80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00008b90: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+00008ba0: 3e0a 3c67 2069 643d 2265 6467 6533 3422 >..<\n+00008bc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00008bd0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00008be0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00008bf0: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n+00008c00: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_\n+00008ea0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00008eb0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+00008ec0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00008ed0: 756e 7574 696c 6974 793c 2f74 6974 6c65 unutility</title\n+00008ee0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00008ef0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00008f00: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00008f10: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00008f20: 3738 372e 3838 2c2d 3935 382e 3935 4337 787.88,-958.95C7\n+00008f30: 3834 2e35 342c 2d39 3439 2e33 2037 3830 84.54,-949.3 780\n+00008f40: 2e33 332c 2d39 3335 2e35 3320 3737 382e .33,-935.53 778.\n+00008f50: 3536 2c2d 3932 332e 3035 2037 3732 2e39 56,-923.05 772.9\n+00008f60: 352c 2d38 3833 2e34 3420 3736 392e 3333 5,-883.44 769.33\n+00008f70: 2c2d 3836 392e 3837 2037 3835 2e35 362c ,-869.87 785.56,\n+00008f80: 2d38 3333 2e33 3120 3830 372e 3539 2c2d -833.31 807.59,-\n+00008f90: 3738 332e 3639 2031 3037 302e 3134 2c2d 783.69 1070.14,-\n+00008fa0: 3530 352e 3034 2031 3134 332e 3538 2c2d 505.04 1143.58,-\n+00008fb0: 3432 372e 3631 222f 3e0a 3c70 6f6c 7967 427.61\"/>.<polyg\n+00008fc0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00008fd0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00008fe0: 6322 2070 6f69 6e74 733d 2231 3134 362e c\" points=\"1146.\n+00008ff0: 3439 2c2d 3432 392e 3633 2031 3135 302e 49,-429.63 1150.\n+00009000: 3834 2c2d 3431 392e 3937 2031 3134 312e 84,-419.97 1141.\n+00009010: 3431 2c2d 3432 342e 3831 2031 3134 362e 41,-424.81 1146.\n+00009020: 3439 2c2d 3432 392e 3633 222f 3e0a 3c2f 49,-429.63\"/>.</\n+00009030: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00009040: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00009050: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00009060: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00009070: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00009080: 6765 3330 2220 636c 6173 733d 2265 6467 ge30\" class=\"edg\n+00009090: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000090a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000090b0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+000090c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000090d0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......module\n+00009330: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00009340: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00009350: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00009360: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......\n+00009520: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009530: 6373 5f6e 626e 786d 3c2f 7469 746c 653e cs_nbnxm\n+00009540: 0a3c 6720 6964 3d22 615f 6e6f 6465 3438 ..\n+000095a0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .nbnxm.....\n+000096b0: 3c67 2069 643d 2265 6467 6533 3522 2063 .module_src_g\n+000096e0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+000096f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009700: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm......modu\n+000098c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+000098d0: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+000098e0: 683c 2f74 6974 6c65 3e0a 3c67 2069 643d h...awh.<\n+00009a00: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....module_src_gro\n+00009a90: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00009aa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00009ab0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+00009ac0: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+00009ad0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00009b80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n+00009c40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00009c50: 7377 6170 3c2f 7469 746c 653e 0a3c 6720 swap...s\n+00009d70: 7761 703c 2f74 6578 743e 0a3c 2f61 3e0a wap..\n+00009d80: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....\n+00009df0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009e00: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+00009e10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009e20: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00009e30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......<\n+0000a060: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000a070: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n+0000a080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000a090: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000a0a0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+0000a2a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a2b0: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n+0000a2c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a2d0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+0000a2e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+0000a400: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n+0000a470: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a480: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+0000a490: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a4a0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n+0000a4b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000a4c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000a4d0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0000a4e0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0000a4f0: 3d22 4d31 3032 322e 3137 2c2d 3239 322e =\"M1022.17,-292.\n+0000a500: 3835 4331 3034 382e 3633 2c2d 3331 342e 85C1048.63,-314.\n+0000a510: 3131 2031 3130 372e 3235 2c2d 3336 312e 11 1107.25,-361.\n+0000a520: 3231 2031 3133 392e 3735 2c2d 3338 372e 21 1139.75,-387.\n+0000a530: 3333 222f 3e0a 3c70 6f6c 7967 6f6e 2066 33\"/>.<polygon f\n+0000a540: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0000a550: 726f 6b65 3d22 2332 3832 6663 6322 2070 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6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n+0000a650: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000a660: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000a670: 2223 6266 6266 6266 2220 643d 224d 3130 \"#bfbfbf\" d=\"M10\n+0000a680: 3135 2e32 332c 2d32 3637 2e36 4331 3032 15.23,-267.6C102\n+0000a690: 362e 3632 2c2d 3234 362e 3537 2031 3034 6.62,-246.57 104\n+0000a6a0: 392e 3934 2c2d 3230 332e 3439 2031 3036 9.94,-203.49 106\n+0000a6b0: 342e 3032 2c2d 3137 372e 3439 222f 3e0a 4.02,-177.49\"/>.\n+0000a6c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0000a6d0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+0000a6e0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+0000a6f0: 2231 3036 372e 3233 2c2d 3137 382e 3920 \"1067.23,-178.9 \n+0000a700: 3130 3638 2e39 322c 2d31 3638 2e34 3420 1068.92,-168.44 \n+0000a710: 3130 3631 2e30 382c 2d31 3735 2e35 3720 1061.08,-175.57 \n+0000a720: 3130 3637 2e32 332c 2d31 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3b6d 6f64 bles->mod\n+0000a9b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000a9c0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0000a9d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+0000abe0: 3c67 2069 643d 2265 6467 6535 3422 2063 .module_src_g\n+0000ac10: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n+0000ac20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ac30: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n+0000ac40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n+0000ad40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+0000adb0: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n+0000adc0: 6c65 7326 2334 353b 2667 743b 6d6f 6475 les->modu\n+0000add0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0000ade0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio.....\n+0000af50: 3c67 2069 643d 226e 6f64 6531 3222 2063 .module_src_g\n+0000af80: 726f 6d61 6373 5f6d 696d 6963 3c2f 7469 romacs_mimic..mimic....module_src_grom\n+0000b0d0: 6163 735f 6d69 6d69 6326 2334 353b 2667 acs_mimic-&g\n+0000b0e0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b0f0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib.....<\n+0000b2a0: 6720 6964 3d22 6e6f 6465 3134 2220 636c g id=\"node14\" cl\n+0000b2b0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+0000b2d0: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility..\n+0000b3a0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .util\n+0000b400: 6974 793c 2f74 6578 743e 0a3c 2f61 3e0a ity..\n+0000b410: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ...\n+0000b460: 3c67 2069 643d 2265 6467 6535 3822 2063 .module_src_g\n+0000b490: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n+0000b4a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000b4b0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n+0000b4c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000b620: 0a3c 2f67 3e0a 3c21 2d2d 206d 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3130 3134 65 1522.81,-1014\n-0000cff0: 2e34 3920 3133 3536 2e35 362c 2d39 3835 .49 1356.56,-985\n-0000d000: 2e39 3220 3132 3538 2e38 362c 2d39 3639 .92 1258.86,-969\n-0000d010: 2e31 3320 3132 3031 2e39 362c 2d31 3030 .13 1201.96,-100\n-0000d020: 322e 3431 2031 3134 322e 3536 2c2d 3932 2.41 1142.56,-92\n-0000d030: 332e 3035 2038 3430 2e39 362c 2d35 3230 3.05 840.96,-520\n-0000d040: 2e30 3920 3138 3538 2e33 322c 2d37 3834 .09 1858.32,-784\n-0000d050: 2e39 3920 3231 3233 2e35 362c 2d33 3537 .99 2123.56,-357\n-0000d060: 2e32 3220 3231 3534 2e32 332c 2d33 3037 .22 2154.23,-307\n-0000d070: 2e37 3620 3230 3631 2e38 322c 2d32 3730 .76 2061.82,-270\n-0000d080: 2e34 3320 3230 3535 2e35 362c 2d32 3637 .43 2055.56,-267\n-0000d090: 2e34 3820 3139 3939 2e34 312c 2d32 3431 .48 1999.41,-241\n-0000d0a0: 2031 3831 352e 3333 2c2d 3232 362e 3431 1815.33,-226.41\n-0000d0b0: 2031 3733 362e 3232 2c2d 3232 312e 3234 1736.22,-221.24\n-0000d0c0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon 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726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-0000d1c0: 5f75 7469 6c73 2623 3435 3b26 6774 3b6d _utils->m\n-0000d1d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000d1e0: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n-0000d1f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000d200: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-0000d210: 2220 643d 224d 3232 3638 2e32 382c 2d31 \" d=\"M2268.28,-1\n-0000d220: 3032 352e 3333 4332 3239 352e 3236 2c2d 025.33C2295.26,-\n-0000d230: 3130 3137 2e30 3220 3233 3337 2e32 372c 1017.02 2337.27,\n-0000d240: 2d31 3030 332e 3334 2032 3337 312e 3536 -1003.34 2371.56\n-0000d250: 2c2d 3938 352e 3932 2032 3530 352e 3935 ,-985.92 2505.95\n-0000d260: 2c2d 3931 372e 3636 2032 3538 342e 3536 ,-917.66 2584.56\n-0000d270: 2c2d 3837 322e 3734 2032 3538 342e 3536 ,-872.74 2584.56\n-0000d280: 2c2d 3732 322e 3031 2032 3538 342e 3536 ,-722.01 2584.56\n-0000d290: 2c2d 3732 322e 3031 2032 3538 342e 3536 ,-722.01 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6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000d390: 6f6d 6163 735f 6d64 7479 7065 7320 2d2d omacs_mdtypes --\n-0000d3a0: 3e0a 3c67 2069 643d 2265 6467 6537 3222 >.<g id=\"edge72\"\n-0000d3b0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000d3c0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000d3d0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-0000d3e0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0000d3f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000d400: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types.....<\n-0000d560: 6720 6964 3d22 6e6f 6465 3337 2220 636c g id=\"node37\" cl\n-0000d570: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0000d590: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility...\n-0000d6c0: 7574 696c 6974 793c 2f74 6578 743e 0a3c utility.<\n-0000d6d0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....modul\n-0000d750: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-0000d760: 755f 7574 696c 7326 2334 353b 2667 743b u_utils->\n-0000d770: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d780: 6373 5f75 7469 6c69 7479 3c2f 7469 746c cs_utility</titl\n-0000d790: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0000d7a0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n-0000d7b0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n-0000d7c0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0000d7d0: 4d32 3235 382e 3837 2c2d 3130 3437 2e35 M2258.87,-1047.5\n-0000d7e0: 3443 3232 3639 2e32 382c 2d31 3035 352e 4C2269.28,-1055.\n-0000d7f0: 3936 2032 3238 322e 3137 2c2d 3130 3637 96 2282.17,-1067\n-0000d800: 2e37 3220 3232 3932 2e30 352c 2d31 3037 .72 2292.05,-107\n-0000d810: 372e 3639 222f 3e0a 3c70 6f6c 7967 6f6e 7.69\"/>.<polygon\n-0000d820: 2066 696c 6c3d 2223 3263 6363 3238 2220 fill=\"#2ccc28\" \n-0000d830: 7374 726f 6b65 3d22 2332 6363 6332 3822 stroke=\"#2ccc28\"\n-0000d840: 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6c65 y->module\n-0000d930: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000d940: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..\n-0000d9e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n-0000da50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-0000dad0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0000dae0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-0000daf0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-0000db00: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware....\n-0000dc50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-0000dcc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000dcd0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+0000baa0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+0000bab0: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n+0000bac0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000bad0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0000bae0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0000bc90: 0a3c 6720 6964 3d22 6564 6765 3539 2220 ..module_src_\n+0000bcc0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+0000bcd0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+0000bce0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000bcf0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0000bd00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+0000bdb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+0000be20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+0000be70: 0a3c 6720 6964 3d22 6564 6765 3630 2220 ..module_src_\n+0000bea0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n+0000beb0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n+0000bec0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000bed0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec....<\n+0000c000: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000c010: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000c020: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000c030: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000c040: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0000c050: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module_\n+0000c080: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000c090: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+0000c0a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c0b0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0000c0c0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......module\n+0000c410: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+0000c420: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n+0000c430: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000c440: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0000c450: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n+0000c590: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+0000c600: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000c610: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000c620: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000c630: 7263 5f74 6573 7475 7469 6c73 3c2f 7469 rc_testutils</ti\n+0000c640: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000c650: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+0000c660: 6564 2220 643d 224d 3134 3139 2e33 342c ed\" d=\"M1419.34,\n+0000c670: 2d31 3039 372e 3138 4331 3637 332e 3134 -1097.18C1673.14\n+0000c680: 2c2d 3130 3936 2e37 3420 3236 3634 2e34 ,-1096.74 2664.4\n+0000c690: 362c 2d31 3039 322e 3233 2032 3731 332e 6,-1092.23 2713.\n+0000c6a0: 3536 2c2d 3130 3438 2e37 3920 3237 3237 56,-1048.79 2727\n+0000c6b0: 2e39 362c 2d31 3033 362e 3035 2032 3732 .96,-1036.05 272\n+0000c6c0: 392e 3838 2c2d 3130 3133 2e35 3420 3237 9.88,-1013.54 27\n+0000c6d0: 3238 2e38 352c 2d39 3936 2e34 3422 2f3e 28.85,-996.44\"/>\n+0000c6e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000c6f0: 7265 6422 2073 7472 6f6b 653d 2272 6564 red\" stroke=\"red\n+0000c700: 2220 706f 696e 7473 3d22 3237 3332 2e33 \" points=\"2732.3\n+0000c710: 2c2d 3939 352e 3735 2032 3732 372e 3835 ,-995.75 2727.85\n+0000c720: 2c2d 3938 362e 3134 2032 3732 352e 3334 ,-986.14 2725.34\n+0000c730: 2c2d 3939 362e 3433 2032 3733 322e 332c ,-996.43 2732.3,\n+0000c740: 2d39 3935 2e37 3522 2f3e 0a3c 2f67 3e0a -995.75\"/>.</g>.\n+0000c750: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000c760: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+0000c770: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+0000c780: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c790: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964 _mdlib -->.<g id\n+0000c7a0: 3d22 6564 6765 3732 2220 636c 6173 733d =\"edge72\" class=\n+0000c7b0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000c7c0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000c7d0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000c7e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000c7f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0000c800: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+0000c990: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0000c9a0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+0000c9b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000c9c0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random</tit\n+0000c9d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000c9e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+0000c9f0: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+0000ca00: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0000ca10: 3134 3137 2e35 372c 2d31 3039 342e 3838 1417.57,-1094.88\n+0000ca20: 4331 3538 332e 382c 2d31 3038 372e 3233 C1583.8,-1087.23\n+0000ca30: 2032 3036 342e 3834 2c2d 3130 3539 2e31 2064.84,-1059.1\n+0000ca40: 3720 3232 3031 2e35 362c 2d39 3835 2e39 7 2201.56,-985.9\n+0000ca50: 3220 3232 3931 2e30 372c 2d39 3337 2e39 2 2291.07,-937.9\n+0000ca60: 3620 3233 3036 2e35 2c2d 3836 372e 3738 6 2306.5,-867.78\n+0000ca70: 2032 3237 372e 3536 2c2d 3737 302e 3434 2277.56,-770.44\n+0000ca80: 2032 3234 312e 3237 2c2d 3634 382e 3336 2241.27,-648.36\n+0000ca90: 2032 3131 362e 3536 2c2d 3636 302e 3735 2116.56,-660.75\n+0000caa0: 2032 3131 362e 3536 2c2d 3533 332e 3420 2116.56,-533.4 \n+0000cab0: 3231 3136 2e35 362c 2d35 3333 2e34 2032 2116.56,-533.4 2\n+0000cac0: 3131 362e 3536 2c2d 3533 332e 3420 3231 116.56,-533.4 21\n+0000cad0: 3136 2e35 362c 2d34 3035 2e36 3620 3231 16.56,-405.66 21\n+0000cae0: 3136 2e35 362c 2d33 3635 2e38 3620 3230 16.56,-365.86 20\n+0000caf0: 3931 2e31 322c 2d33 3235 2e34 3220 3230 91.12,-325.42 20\n+0000cb00: 3733 2e33 372c 2d33 3032 2e30 3522 2f3e 73.37,-302.05\"/>\n+0000cb10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000cb20: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+0000cb30: 6c61 636b 2220 706f 696e 7473 3d22 3230 lack\" points=\"20\n+0000cb40: 3735 2e39 342c 2d32 3939 2e36 3720 3230 75.94,-299.67 20\n+0000cb50: 3637 2e30 312c 2d32 3933 2e39 3720 3230 67.01,-293.97 20\n+0000cb60: 3730 2e34 342c 2d33 3033 2e39 3920 3230 70.44,-303.99 20\n+0000cb70: 3735 2e39 342c 2d32 3939 2e36 3722 2f3e 75.94,-299.67\"/>\n+0000cb80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000cb90: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0000cba0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+0000cbb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000cbc0: 726f 6d61 6373 5f6d 6474 7970 6573 202d romacs_mdtypes -\n+0000cbd0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3730 ->.<g id=\"edge70\n+0000cbe0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000cbf0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000cc00: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+0000cc10: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+0000cc20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000cc30: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+0000cc40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000cc50: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000cc60: 6266 6266 2220 643d 224d 3133 3032 2e34 bfbf\" d=\"M1302.4\n+0000cc70: 362c 2d31 3039 362e 3139 4331 3136 332e 6,-1096.19C1163.\n+0000cc80: 3632 2c2d 3130 3932 2e33 2038 3139 2e33 62,-1092.3 819.3\n+0000cc90: 362c 2d31 3037 332e 3820 3735 352e 3536 6,-1073.8 755.56\n+0000cca0: 2c2d 3938 352e 3932 2037 3238 2e39 352c ,-985.92 728.95,\n+0000ccb0: 2d39 3439 2e32 3620 3730 302e 332c 2d39 -949.26 700.3,-9\n+0000ccc0: 3236 2e34 3420 3738 352e 3536 2c2d 3833 26.44 785.56,-83\n+0000ccd0: 332e 3331 2038 3130 2e36 332c 2d38 3035 3.31 810.63,-805\n+0000cce0: 2e39 3320 3835 312e 3538 2c2d 3739 342e .93 851.58,-794.\n+0000ccf0: 3031 2038 3833 2e35 392c 2d37 3838 2e38 01 883.59,-788.8\n+0000cd00: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0000cd10: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+0000cd20: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+0000cd30: 696e 7473 3d22 3838 342e 3234 2c2d 3739 ints=\"884.24,-79\n+0000cd40: 322e 3237 2038 3933 2e36 332c 2d37 3837 2.27 893.63,-787\n+0000cd50: 2e33 3820 3838 332e 3233 2c2d 3738 352e .38 883.23,-785.\n+0000cd60: 3335 2038 3834 2e32 342c 2d37 3932 2e32 35 884.24,-792.2\n+0000cd70: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n+0000cd80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000cd90: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000cda0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000cdb0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0000cdc0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964 ndline -->.<g id\n+0000cdd0: 3d22 6564 6765 3636 2220 636c 6173 733d =\"edge66\" class=\n+0000cde0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000cdf0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000ce00: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000ce10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000ce20: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0000ce30: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+0000ce40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000ce50: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+0000ce60: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+0000ce70: 3d22 352c 3222 2064 3d22 4d31 3330 312e =\"5,2\" d=\"M1301.\n+0000ce80: 3737 2c2d 3130 3937 2e32 3343 3131 3035 77,-1097.23C1105\n+0000ce90: 2e35 352c 2d31 3039 362e 3832 2034 3831 .55,-1096.82 481\n+0000cea0: 2e30 382c 2d31 3039 322e 3039 2034 3032 .08,-1092.09 402\n+0000ceb0: 2e35 362c 2d31 3034 382e 3739 2032 3832 .56,-1048.79 282\n+0000cec0: 2e38 382c 2d39 3832 2e37 3820 3238 312c .88,-982.78 281,\n+0000ced0: 2d39 3232 2e32 3420 3232 352e 3536 2c2d -922.24 225.56,-\n+0000cee0: 3739 372e 3331 2032 3131 2e36 342c 2d37 797.31 211.64,-7\n+0000cef0: 3635 2e39 3520 3230 382e 3536 2c2d 3735 65.95 208.56,-75\n+0000cf00: 362e 3332 2032 3038 2e35 362c 2d37 3232 6.32 208.56,-722\n+0000cf10: 2e30 3120 3230 382e 3536 2c2d 3732 322e .01 208.56,-722.\n+0000cf20: 3031 2032 3038 2e35 362c 2d37 3232 2e30 01 208.56,-722.0\n+0000cf30: 3120 3230 382e 3536 2c2d 3436 382e 3533 1 208.56,-468.53\n+0000cf40: 2032 3038 2e35 362c 2d33 3038 2e33 3420 208.56,-308.34 \n+0000cf50: 3230 392e 3138 2c2d 3139 342e 3132 2033 209.18,-194.12 3\n+0000cf60: 3630 2e35 362c 2d31 3431 2e37 3420 3436 60.56,-141.74 46\n+0000cf70: 372e 3834 2c2d 3130 342e 3632 2031 3236 7.84,-104.62 126\n+0000cf80: 332e 3338 2c2d 3935 2e35 3820 3134 3934 3.38,-95.58 1494\n+0000cf90: 2e30 352c 2d39 332e 3733 222f 3e0a 3c70 .05,-93.73\"/>....\n+0000d060: 3c67 2069 643d 2265 6467 6538 3022 2063 .module_src_g\n+0000d090: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000d0a0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000d0b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000d0c0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces......mod\n+0000d390: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000d3a0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+0000d3b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000d3c0: 5f67 726f 6d61 6373 5f6d 6472 756e 3c2f _gromacs_mdrun</\n+0000d3d0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0000d3e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0000d3f0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000d400: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0000d410: 2064 3d22 4d31 3330 312e 3835 2c2d 3130 d=\"M1301.85,-10\n+0000d420: 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7473 3d22 282fcc\" points=\"\n+0000d510: 3636 322e 3531 2c2d 3335 322e 3936 2036 662.51,-352.96 6\n+0000d520: 3731 2e38 312c 2d33 3437 2e39 2036 3631 71.81,-347.9 661\n+0000d530: 2e33 382c 2d33 3436 2e30 3520 3636 322e .38,-346.05 662.\n+0000d540: 3531 2c2d 3335 322e 3936 222f 3e0a 3c2f 51,-352.96\"/>.</\n+0000d550: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000d560: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n+0000d570: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n+0000d580: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000d590: 6163 735f 6f70 7469 6f6e 7320 2d2d 3e0a acs_options -->.\n+0000d5a0: 3c67 2069 643d 2265 6467 6538 3122 2063 <g id=\"edge81\" c\n+0000d5b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0000d5c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0000d5d0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0000d5e0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+0000d5f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000d600: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n+0000d610: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0000d7d0: 0a3c 6720 6964 3d22 6564 6765 3736 2220 ..module_src_\n+0000d800: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+0000d810: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+0000d820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000d830: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft......module_\n+0000da30: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000da40: 6e61 3c2f 7469 746c 653e 0a3c 656c 6c69 na..gmxana.\n+0000db10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n+0000db60: 0a3c 6720 6964 3d22 6564 6765 3637 2220 ..module_src_\n+0000db90: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+0000dba0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+0000dbb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000dbc0: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n+0000dbd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n-0000def0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0000df00: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-0000df10: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0000df20: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module_src_grom\n-0000e120: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-0000e130: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000e140: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-0000e150: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-0000e160: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n-0000e350: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000e360: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-0000e370: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000e380: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n-0000e390: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0000e3a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0000e3b0: 2362 6662 6662 6622 2064 3d22 4d31 3634 #bfbfbf\" d=\"M164\n-0000e3c0: 392e 3631 2c2d 3532 342e 3233 4331 3539 9.61,-524.23C159\n-0000e3d0: 332e 3638 2c2d 3531 322e 3836 2031 3439 3.68,-512.86 149\n-0000e3e0: 302e 3337 2c2d 3439 302e 3733 2031 3433 0.37,-490.73 143\n-0000e3f0: 372e 3038 2c2d 3437 382e 3734 222f 3e0a 7.08,-478.74\"/>.\n-0000e400: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0000e410: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-0000e420: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-0000e430: 2231 3433 372e 3635 2c2d 3437 352e 3238 \"1437.65,-475.28\n-0000e440: 2031 3432 372e 3132 2c2d 3437 362e 3438 1427.12,-476.48\n-0000e450: 2031 3433 362e 312c 2d34 3832 2e31 2031 1436.1,-482.1 1\n-0000e460: 3433 372e 3635 2c2d 3437 352e 3238 222f 437.65,-475.28\"/\n-0000e470: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 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6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n-0000f000: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n-0000f010: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000f020: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n-0000f030: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-0000f1b0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0000f1c0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-0000f1d0: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n-0000f1e0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t..\n-0000f2a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ...\n-0000f5e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000f5f0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-0000f600: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-0000f610: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n-0000f620: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan...<\n-0000f8a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f 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_fileio.\n-00010880: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00010a20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00010a30: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-00010a40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00010a50: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-00010a60: 666f 7263 6573 202d 2d3e 0a3c 6720 6964 forces -->..m\n-00010a90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010aa0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n-00010ab0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010ac0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-00010ad0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s.....\n-00010d60: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00010d70: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-00010d80: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-00010d90: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-00010da0: 6a65 6374 6f72 793c 2f74 6974 6c65 3e0a jectory.\n-00010db0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-00010f60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00010f70: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n-00010f80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00010f90: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00010fa0: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70 s_awh......module_src_grom\n-00011180: 6163 735f 7469 6d69 6e67 3c2f 7469 746c acs_timing..timing\n-00011250: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....\n-000112c0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-000112d0: 635f 6772 6f6d 6163 735f 7469 6d69 6e67 c_gromacs_timing\n-000112e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000112f0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00011300: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......modu\n-00011440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-00011450: 696e 6561 7261 6c67 6562 7261 3c2f 7469 inearalgebra</ti\n-00011460: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-00011470: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-00011480: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00011490: 3535 392e 3536 2220 6379 3d22 2d31 3334 559.56\" cy=\"-134\n-000114a0: 392e 3731 2220 7278 3d22 3530 2e34 3122 9.71\" rx=\"50.41\"\n-000114b0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n-000114c0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n-000114d0: 226d 6964 646c 6522 2078 3d22 3535 392e \"middle\" x=\"559.\n-000114e0: 3536 2220 793d 222d 3133 3437 2e32 3122 56\" y=\"-1347.21\"\n-000114f0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n-00011500: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n-00011510: 653d 2231 302e 3030 223e 6c69 6e65 6172 e=\"10.00\">linear\n-00011520: 616c 6765 6272 613c 2f74 6578 743e 0a3c algebra</text>.<\n-00011530: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00011540: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n-00011550: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n-00011560: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011570: 7372 635f 6772 6f6d 6163 735f 6666 7420 src_gromacs_fft \n-00011580: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00011590: 3030 2220 636c 6173 733d 2265 6467 6522 00\" class=\"edge\"\n-000115a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-000115b0: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n-000115c0: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n-000115d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000115e0: 7372 635f 6772 6f6d 6163 735f 6666 743c src_gromacs_fft<\n-000115f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00011600: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00011610: 3d22 2332 3832 6663 6322 2064 3d22 4d31 =\"#282fcc\" d=\"M1\n-00011620: 3130 322e 362c 2d31 3135 342e 3737 4331 102.6,-1154.77C1\n-00011630: 3234 392c 2d31 3134 322e 3431 2031 3630 249,-1142.41 160\n-00011640: 382e 3334 2c2d 3131 3132 2e30 3820 3137 8.34,-1112.08 17\n-00011650: 3234 2e30 332c 2d31 3130 322e 3331 222f 24.03,-1102.31\"/\n-00011660: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00011670: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00011680: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-00011690: 733d 2231 3732 342e 3437 2c2d 3131 3035 s=\"1724.47,-1105\n-000116a0: 2e37 3920 3137 3334 2e31 342c 2d31 3130 .79 1734.14,-110\n-000116b0: 312e 3436 2031 3732 332e 3838 2c2d 3130 1.46 1723.88,-10\n-000116c0: 3938 2e38 3120 3137 3234 2e34 372c 2d31 98.81 1724.47,-1\n-000116d0: 3130 352e 3739 222f 3e0a 3c2f 673e 0a3c 105.79\"/>.</g>.<\n-000116e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000116f0: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-00011700: 6f6e 6675 6e63 7469 6f6e 7326 2334 353b onfunctions-\n-00011710: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00011720: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00011730: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n-00011740: 6765 3130 3222 2063 6c61 7373 3d22 6564 ge102\" class=\"ed\n-00011750: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00011760: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00011770: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n-00011780: 6f6e 7326 2334 353b 2667 743b 6d6f 6475 ons->modu\n-00011790: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-000117a0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-000117b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000117c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000117d0: 3266 6363 2220 643d 224d 3937 322e 322c 2fcc\" d=\"M972.2,\n-000117e0: 2d31 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6f69 ke=\"#282fcc\" poi\n-000118d0: 6e74 733d 2231 3730 332e 3231 2c2d 3936 nts=\"1703.21,-96\n-000118e0: 2e38 3120 3137 3133 2e32 2c2d 3933 2e32 .81 1713.2,-93.2\n-000118f0: 3820 3137 3033 2e31 392c 2d38 392e 3831 8 1703.19,-89.81\n-00011900: 2031 3730 332e 3231 2c2d 3936 2e38 3122 1703.21,-96.81\"\n-00011910: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00011920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011930: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-00011940: 696f 6e73 2623 3435 3b26 6774 3b6d 6f64 ions->mod\n-00011950: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00011960: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n-00011970: 3d22 6564 6765 3130 3122 2063 6c61 7373 =\"edge101\" class\n-00011980: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00011990: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000119a0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-000119b0: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n-000119c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000119d0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-000119e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000119f0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-00011a00: 6662 6622 2064 3d22 4d31 3033 342e 3437 fbf\" d=\"M1034.47\n-00011a10: 2c2d 3131 3437 2e36 3943 3130 3235 2e39 ,-1147.69C1025.9\n-00011a20: 312c 2d31 3132 352e 3637 2031 3030 392e 1,-1125.67 1009.\n-00011a30: 3536 2c2d 3130 3738 2e31 3320 3130 3039 56,-1078.13 1009\n-00011a40: 2e35 362c 2d31 3033 362e 3336 2031 3030 .56,-1036.36 100\n-00011a50: 392e 3536 2c2d 3130 3336 2e33 3620 3130 9.56,-1036.36 10\n-00011a60: 3039 2e35 362c 2d31 3033 362e 3336 2031 09.56,-1036.36 1\n-00011a70: 3030 392e 3536 2c2d 3937 312e 3439 2031 009.56,-971.49 1\n-00011a80: 3030 392e 3536 2c2d 3837 362e 3837 2031 009.56,-876.87 1\n-00011a90: 3032 362e 362c 2d38 3438 2e38 3520 3130 026.6,-848.85 10\n-00011aa0: 3739 2e35 362c 2d37 3730 2e34 3420 3131 79.56,-770.44 11\n-00011ab0: 3237 2e31 312c 2d37 3030 2e30 3320 3131 27.11,-700.03 11\n-00011ac0: 3438 2e33 382c 2d36 3834 2e32 3920 3132 48.38,-684.29 12\n-00011ad0: 3233 2e35 362c 2d36 3434 2e37 2031 3238 23.56,-644.7 128\n-00011ae0: 302e 342c 2d36 3134 2e37 3620 3133 3132 0.4,-614.76 1312\n-00011af0: 2e39 342c 2d36 3438 2e32 3620 3133 3633 .94,-648.26 1363\n-00011b00: 2e35 362c 2d36 3038 2e37 2031 3336 342e .56,-608.7 1364.\n-00011b10: 3334 2c2d 3630 382e 3039 2031 3339 372e 34,-608.09 1397.\n-00011b20: 3238 2c2d 3534 362e 3738 2031 3339 372e 28,-546.78 1397.\n-00011b30: 3536 2c2d 3534 352e 3833 2031 3430 322e 56,-545.83 1402.\n-00011b40: 3635 2c2d 3532 382e 3633 2031 3430 342e 65,-528.63 1404.\n-00011b50: 3031 2c2d 3530 382e 3331 2031 3430 342e 01,-508.31 1404.\n-00011b60: 3138 2c2d 3439 332e 3131 222f 3e0a 3c70 18,-493.11\"/>.<p\n-00011b70: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00011b80: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00011b90: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n-00011ba0: 3430 372e 3638 2c2d 3439 332e 3035 2031 407.68,-493.05 1\n-00011bb0: 3430 342e 3132 2c2d 3438 332e 3037 2031 404.12,-483.07 1\n-00011bc0: 3430 302e 3638 2c2d 3439 332e 3039 2031 400.68,-493.09 1\n-00011bd0: 3430 372e 3638 2c2d 3439 332e 3035 222f 407.68,-493.05\"/\n-00011be0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00011bf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-00011c00: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n-00011c10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00011c20: 6472 756e 7574 696c 6974 7920 2d2d 3e0a drunutility -->.\n-00011c30: 3c67 2069 643d 2265 6467 6531 3037 2220 <g id=\"edge107\" \n-00011c40: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00011c50: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00011c60: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n-00011c70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00011c80: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00011c90: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...\n-00011dc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n-00011e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-00011e40: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n-00011e50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00011e60: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib...\n-00011fc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-00012030: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012040: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-00012050: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012060: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n-00012070: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00012080: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00012090: 2220 643d 224d 3133 3130 2e36 332c 2d37 \" d=\"M1310.63,-7\n-000120a0: 3136 2e32 3243 3132 3131 2e30 352c 2d37 16.22C1211.05,-7\n-000120b0: 3031 2e34 3520 3835 372e 3134 2c2d 3634 01.45 857.14,-64\n-000120c0: 362e 3539 2038 3234 2e35 362c 2d36 3038 6.59 824.56,-608\n-000120d0: 2e37 2037 3638 2e37 312c 2d35 3433 2e37 .7 768.71,-543.7\n-000120e0: 3420 3739 372e 3039 2c2d 3236 312e 3331 4 797.09,-261.31\n-000120f0: 2038 3036 2e37 362c 2d31 3738 2e38 3622 806.76,-178.86\"\n-00012100: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.....\n-000121e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000121f0: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n-00012200: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012210: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-00012220: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00012230: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00012240: 6266 6266 2220 643d 224d 3133 3339 2e38 bfbf\" d=\"M1339.8\n-00012250: 392c 2d37 3334 2e34 4331 3335 302e 3532 9,-734.4C1350.52\n-00012260: 2c2d 3737 332e 3939 2031 3338 332e 3738 ,-773.99 1383.78\n-00012270: 2c2d 3839 372e 3833 2031 3339 372e 3532 ,-897.83 1397.52\n-00012280: 2c2d 3934 392e 3031 222f 3e0a 3c70 6f6c ,-949.01\"/>.<pol\n-00012290: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-000122a0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-000122b0: 6662 6622 2070 6f69 6e74 733d 2231 3339 fbf\" points=\"139\n-000122c0: 342e 3137 2c2d 3935 302e 3032 2031 3430 4.17,-950.02 140\n-000122d0: 302e 3135 2c2d 3935 382e 3737 2031 3430 0.15,-958.77 140\n-000122e0: 302e 3933 2c2d 3934 382e 3231 2031 3339 0.93,-948.21 139\n-000122f0: 342e 3137 2c2d 3935 302e 3032 222f 3e0a 4.17,-950.02\"/>.\n-00012300: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00012310: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n-00012320: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n-00012330: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-00012340: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n-00012350: 6467 6531 3033 2220 636c 6173 733d 2265 dge103\" class=\"e\n-00012360: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00012370: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012380: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n-00012390: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000123a0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-000123b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000123c0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000123d0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000123e0: 6179 3d22 352c 3222 2064 3d22 4d31 3335 ay=\"5,2\" d=\"M135\n-000123f0: 322e 3731 2c2d 3733 322e 3034 4331 3337 2.71,-732.04C137\n-00012400: 362e 3035 2c2d 3734 362e 3531 2031 3432 6.05,-746.51 142\n-00012410: 302e 3535 2c2d 3737 342e 3037 2031 3435 0.55,-774.07 145\n-00012420: 382e 3536 2c2d 3739 372e 3331 2031 3437 8.56,-797.31 147\n-00012430: 362e 3339 2c2d 3830 382e 3231 2031 3439 6.39,-808.21 149\n-00012440: 362e 3532 2c2d 3832 302e 3420 3135 3132 6.52,-820.4 1512\n-00012450: 2e31 332c 2d38 3239 2e38 3222 2f3e 0a3c .13,-829.82\"/>.<\n-00012460: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00012470: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00012480: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00012490: 3135 3130 2e33 372c 2d38 3332 2e38 3520 1510.37,-832.85 \n-000124a0: 3135 3230 2e37 342c 2d38 3335 2e30 3220 1520.74,-835.02 \n-000124b0: 3135 3133 2e39 392c 2d38 3236 2e38 3520 1513.99,-826.85 \n-000124c0: 3135 3130 2e33 372c 2d38 3332 2e38 3522 1510.37,-832.85\"\n-000124d0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....\n-00012540: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012550: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n-00012560: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00012570: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-00012580: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00012590: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000125a0: 6662 6622 2064 3d22 4d31 3335 322e 3537 fbf\" d=\"M1352.57\n-000125b0: 2c2d 3730 392e 3836 4331 3338 372e 3735 ,-709.86C1387.75\n-000125c0: 2c2d 3638 362e 3239 2031 3436 392e 3936 ,-686.29 1469.96\n-000125d0: 2c2d 3632 332e 3920 3134 3836 2e35 362c ,-623.9 1486.56,\n-000125e0: 2d35 3435 2e38 3320 3134 3839 2e30 342c -545.83 1489.04,\n-000125f0: 2d35 3334 2e31 3520 3134 3932 2e35 312c -534.15 1492.51,\n-00012600: 2d35 3239 2e33 3220 3134 3836 2e35 362c -529.32 1486.56,\n-00012610: 2d35 3138 2e39 3620 3134 3735 2e37 312c -518.96 1475.71,\n-00012620: 2d35 3030 2e30 3720 3134 3534 2e33 352c -500.07 1454.35,\n-00012630: 2d34 3837 2e38 3520 3134 3336 2e30 312c -487.85 1436.01,\n-00012640: 2d34 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6974 ass=\"edge\">.<tit\n-00012730: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00012740: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00012750: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-00012760: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00012770: 6472 756e 3c2f 7469 746c 653e 0a3c 7061 drun...\n-00012900: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gr\n-00012980: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00012990: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n-000129a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-000129b0: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft...\n-00012ad0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n-00012b50: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00012b60: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00012b70: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-00012b80: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld..\n-00012cb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mod\n-00012d30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012d40: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-00012d50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00012d60: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-00012d70: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility..\n-00012e90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module\n-00012f80: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00012f90: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-00012fa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012fb0: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469 omacs_gmxana</ti\n-00012fc0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00012fd0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00012fe0: 6266 6266 6266 2220 643d 224d 3134 3732 bfbfbf\" d=\"M1472\n-00012ff0: 2e31 332c 2d31 3237 392e 3934 4331 3337 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655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000130f0: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->.<g id=\n-00013100: 2265 6467 6531 3134 2220 636c 6173 733d \"edge114\" class=\n-00013110: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00013120: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013130: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00013140: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00013150: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-00013160: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n-00013350: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00013360: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00013370: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013380: 726f 6d61 6373 5f72 616e 646f 6d3c 2f74 romacs_random</t\n-00013390: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000133a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" 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2d34 3832 2e39 3620 3434 352e .56,-482.96 445.\n-000134a0: 3538 2c2d 3434 332e 3238 2034 3233 2e39 58,-443.28 423.9\n-000134b0: 332c 2d34 3233 2e37 3820 3434 392e 3536 3,-423.78 449.56\n-000134c0: 2c2d 3339 332e 3232 2034 3634 2e32 342c ,-393.22 464.24,\n-000134d0: 2d33 3735 2e37 3120 3630 362e 3838 2c2d -375.71 606.88,-\n-000134e0: 3335 372e 3633 2036 3830 2e33 322c 2d33 357.63 680.32,-3\n-000134f0: 3439 2e33 3822 2f3e 0a3c 706f 6c79 676f 49.38\"/>.<polygo\n-00013500: 6e20 6669 6c6c 3d22 626c 6163 6b22 2073 n fill=\"black\" s\n-00013510: 7472 6f6b 653d 2262 6c61 636b 2220 706f troke=\"black\" po\n-00013520: 696e 7473 3d22 3638 312e 3038 2c2d 3335 ints=\"681.08,-35\n-00013530: 322e 3832 2036 3930 2e36 332c 2d33 3438 2.82 690.63,-348\n-00013540: 2e32 3420 3638 302e 3331 2c2d 3334 352e .24 680.31,-345.\n-00013550: 3836 2036 3831 2e30 382c 2d33 3532 2e38 86 681.08,-352.8\n-00013560: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n-00013570: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013580: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00013590: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000135a0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-000135b0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-000135c0: 6531 3136 2220 636c 6173 733d 2265 6467 e116\" class=\"edg\n-000135d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000135e0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000135f0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00013600: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013610: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-00013620: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00013630: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00013640: 2362 6662 6662 6622 2064 3d22 4d31 3436 #bfbfbf\" d=\"M146\n-00013650: 332e 3932 2c2d 3132 3836 2e31 3843 3132 3.92,-1286.18C12\n-00013660: 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3320 1 426.64,-201.3 \n-00013750: 3637 302e 3836 2c2d 3137 322e 3432 2037 670.86,-172.42 7\n-00013760: 3639 2e31 362c 2d31 3630 2e39 222f 3e0a 69.16,-160.9\"/>.\n-00013770: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00013780: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-00013790: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-000137a0: 2237 3639 2e37 382c 2d31 3634 2e33 3520 \"769.78,-164.35 \n-000137b0: 3737 392e 332c 2d31 3539 2e37 3120 3736 779.3,-159.71 76\n-000137c0: 382e 3936 2c2d 3135 372e 3420 3736 392e 8.96,-157.4 769.\n-000137d0: 3738 2c2d 3136 342e 3335 222f 3e0a 3c2f 78,-164.35\"/>.</\n-000137e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-000137f0: 7263 5f67 726f 6d61 6373 5f67 6d78 7072 rc_gromacs_gmxpr\n-00013800: 6570 726f 6365 7373 2623 3435 3b26 6774 eprocess->\n-00013810: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00013820: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00013830: 3c67 2069 643d 2265 6467 6531 3135 2220 <g id=\"edge115\" \n-00013840: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00013850: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00013860: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00013870: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00013880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013890: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-000138a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......m\n-00013ac0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013ad0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00013ae0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00013af0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00013b00: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c..\n-00013c60: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-00013cb0: 6720 6964 3d22 6564 6765 3132 3422 2063 g id=\"edge124\" c\n-00013cc0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00013ce0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00013cf0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00013d00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00013d10: 696d 643c 2f74 6974 6c65 3e0a 3c70 6174 imd......mod\n-00013f40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00013f50: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-00013f60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00013f70: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n-00013f80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00014140: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00014490: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000144a0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-000144b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000144c0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio</t\n-000144d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000144e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000144f0: 2362 6662 6662 6622 2064 3d22 4d31 3436 #bfbfbf\" d=\"M146\n-00014500: 352e 3138 2c2d 3132 3833 2e37 3943 3133 5.18,-1283.79C13\n-00014510: 3330 2e31 322c 2d31 3237 382e 3535 2031 30.12,-1278.55 1\n-00014520: 3030 302e 3237 2c2d 3132 3633 2e32 3620 000.27,-1263.26 \n-00014530: 3935 372e 3536 2c2d 3132 3337 2e34 2039 957.56,-1237.4 9\n-00014540: 3233 2e36 312c 2d31 3231 362e 3834 2039 23.61,-1216.84 9\n-00014550: 3039 2e35 362c 2d31 3230 312e 3739 2039 09.56,-1201.79 9\n-00014560: 3039 2e35 362c 2d31 3136 322e 3120 3930 09.56,-1162.1 90\n-00014570: 392e 3536 2c2d 3131 3632 2e31 2039 3039 9.56,-1162.1 909\n-00014580: 2e35 362c 2d31 3136 322e 3120 3930 392e .56,-1162.1 909.\n-00014590: 3536 2c2d 3539 342e 3237 2039 3039 2e35 56,-594.27 909.5\n-000145a0: 362c 2d35 3536 2e35 3720 3931 372e 3434 6,-556.57 917.44\n-000145b0: 2c2d 3534 302e 3233 2039 3438 2e35 362c ,-540.23 948.56,\n-000145c0: 2d35 3138 2e39 3620 3130 3136 2e32 2c2d -518.96 1016.2,-\n-000145d0: 3437 322e 3733 2031 3237 302e 3233 2c2d 472.73 1270.23,-\n-000145e0: 3436 392e 3536 2031 3336 362e 3338 2c2d 469.56 1366.38,-\n-000145f0: 3437 302e 3037 222f 3e0a 3c70 6f6c 7967 470.07\"/>.<polyg\n-00014600: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-00014610: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-00014620: 6622 2070 6f69 6e74 733d 2231 3336 362e f\" points=\"1366.\n-00014630: 3438 2c2d 3437 332e 3537 2031 3337 362e 48,-473.57 1376.\n-00014640: 352c 2d34 3730 2e31 3420 3133 3636 2e35 5,-470.14 1366.5\n-00014650: 332c 2d34 3636 2e35 3720 3133 3636 2e34 3,-466.57 1366.4\n-00014660: 382c 2d34 3733 2e35 3722 2f3e 0a3c 2f67 8,-473.57\"/>.</g\n-00014670: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00014680: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00014690: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n-000146a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000146b0: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n-000146c0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000146d0: 3131 3222 2063 6c61 7373 3d22 6564 6765 112\" class=\"edge\n-000146e0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000146f0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00014700: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-00014710: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00014720: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00014730: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces..<\n-000148b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-000148c0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-000148d0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-000148e0: 3230 3530 2e34 322c 2d32 3836 2e31 3620 2050.42,-286.16 \n-000148f0: 3230 3339 2e39 322c 2d32 3837 2e35 3420 2039.92,-287.54 \n-00014900: 3230 3438 2e39 392c 2d32 3933 2e30 3120 2048.99,-293.01 \n-00014910: 3230 3530 2e34 322c 2d32 3836 2e31 3622 2050.42,-286.16\"\n-00014920: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-00014980: 3c67 2069 643d 2265 6467 6531 3137 2220 .module_src_\n-000149b0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-000149c0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-000149d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000149e0: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n-000149f0: 6177 683c 2f74 6974 6c65 3e0a 3c70 6174 awh.....\n-00014bc0: 3c67 2069 643d 2265 6467 6531 3235 2220 .module_src_\n-00014bf0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00014c00: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00014c10: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n-00014c20: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......module_src_grom\n-00014f60: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n-00014f70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00014f80: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n-00014f90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n-00015110: 6d61 6373 5f6f 6e6c 696e 6568 656c 703c macs_onlinehelp<\n-00015120: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.\n-00015190: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..onlinehelp...\n-00015260: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-000152b0: 0a3c 6720 6964 3d22 6564 6765 3132 3722 ..<\n-000152d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000152e0: 5f67 726f 6d61 6373 5f73 656c 6563 7469 _gromacs_selecti\n-000152f0: 6f6e 2623 3435 3b26 6774 3b6d 6f64 756c on->modul\n-00015300: 655f 7372 635f 6772 6f6d 6163 735f 6f6e e_src_gromacs_on\n-00015310: 6c69 6e65 6865 6c70 3c2f 7469 746c 653e linehelp\n-00015320: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-000153f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 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2e33 3420 3137 3630 2e36 372c -888.34 1760.67,\n-00015900: 2d38 3935 2e39 3820 3137 3539 2e36 392c -895.98 1759.69,\n-00015910: 2d38 3835 2e34 3320 3137 3533 2e33 332c -885.43 1753.33,\n-00015920: 2d38 3838 2e33 3422 2f3e 0a3c 2f67 3e0a -888.34\"/>..\n-00015930: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n-000159a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000159b0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-000159c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-000159d0: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-000159e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00015bb0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n-00015c20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015c30: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00015c40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015c50: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n-00015c60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00015c70: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-00015c80: 2220 643d 224d 3135 3735 2e33 332c 2d36 \" d=\"M1575.33,-6\n-00015c90: 3634 2e32 3243 3135 3338 2e38 312c 2d36 64.22C1538.81,-6\n-00015ca0: 3732 2e31 3620 3134 3734 2e31 2c2d 3638 72.16 1474.1,-68\n-00015cb0: 382e 3536 2031 3436 302e 3536 2c2d 3730 8.56 1460.56,-70\n-00015cc0: 372e 3537 2031 3432 302e 332c 2d37 3634 7.57 1420.3,-764\n-00015cd0: 2e31 2031 3434 362e 372c 2d38 3039 2031 .1 1446.7,-809 1\n-00015ce0: 3439 332e 3536 2c2d 3836 302e 3138 2031 493.56,-860.18 1\n-00015cf0: 3533 372e 3939 2c2d 3930 382e 3720 3135 537.99,-908.7 15\n-00015d00: 3637 2e36 2c2d 3839 352e 3939 2031 3632 67.6,-895.99 162\n-00015d10: 372e 3536 2c2d 3932 332e 3035 2031 3639 7.56,-923.05 169\n-00015d20: 312e 3538 2c2d 3935 312e 3934 2031 3730 1.58,-951.94 170\n-00015d30: 342e 3631 2c2d 3936 382e 3133 2031 3737 4.61,-968.13 177\n-00015d40: 322e 3536 2c2d 3938 352e 3932 2031 3932 2.56,-985.92 192\n-00015d50: 312e 3731 2c2d 3130 3234 2e39 3620 3231 1.71,-1024.96 21\n-00015d60: 3035 2e32 352c 2d31 3033 322e 3737 2032 05.25,-1032.77 2\n-00015d70: 3139 312e 3835 2c2d 3130 3334 2e31 3822 191.85,-1034.18\"\n-00015d80: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00015d90: 3d22 7265 6422 2073 7472 6f6b 653d 2272 =\"red\" stroke=\"r\n-00015da0: 6564 2220 706f 696e 7473 3d22 3231 3931 ed\" points=\"2191\n-00015db0: 2e38 382c 2d31 3033 372e 3638 2032 3230 .88,-1037.68 220\n-00015dc0: 312e 3933 2c2d 3130 3334 2e33 3220 3231 1.93,-1034.32 21\n-00015dd0: 3931 2e39 382c 2d31 3033 302e 3638 2032 91.98,-1030.68 2\n-00015de0: 3139 312e 3838 2c2d 3130 3337 2e36 3822 191.88,-1037.68\"\n-00015df0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00015e00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015e10: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00015e20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015e30: 5f6d 6472 756e 7574 696c 6974 7920 2d2d _mdrunutility --\n-00015e40: 3e0a 3c67 2069 643d 2265 6467 6531 3435 >.<g id=\"edge145\n-00015e50: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00015e60: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00015e70: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00015e80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015e90: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00015ea0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-00015eb0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00015f60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n-00016040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00016050: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-00016060: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00016070: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n-00016080: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00016090: 6f6e 6522 2073 7472 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-356.87 735.89,-\n-00016180: 3336 362e 3936 2037 3431 2e34 362c 2d33 366.96 741.46,-3\n-00016190: 3632 2e37 3222 2f3e 0a3c 2f67 3e0a 3c21 62.72\"/>.</g>.<!\n-000161a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-000161b0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-000161c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000161d0: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-000161e0: 3e0a 3c67 2069 643d 2265 6467 6531 3330 >.<g id=\"edge130\n-000161f0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00016200: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00016210: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n-00016220: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00016230: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00016240: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module_src_gro\n-00016420: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-00016430: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00016440: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm......module_src_gro\n-000165d0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n-000165e0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000165f0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes.....\n-00016750: 3c67 2069 643d 2265 6467 6531 3334 2220 .module_src_\n-00016780: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-00016790: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000167a0: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n-000167b0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_src_gro\n-00016920: 6d61 6373 5f74 6162 6c65 733c 2f74 6974 macs_tables...tables\n-00016a50: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......\n-00016ad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00016ae0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n-00016af0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d 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7469 746c 653e 0a3c 7061 mics......module\n-000170e0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-000170f0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00017100: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-00017110: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n-00017120: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00017130: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-00017140: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-00017150: 7261 793d 2235 2c32 2220 643d 224d 3136 ray=\"5,2\" d=\"M16\n-00017160: 3238 2e39 352c 2d36 3537 2e32 3443 3136 28.95,-657.24C16\n-00017170: 3932 2e33 372c 2d36 3536 2e36 3520 3138 92.37,-656.65 18\n-00017180: 3439 2e36 2c2d 3635 302e 3639 2031 3937 49.6,-650.69 197\n-00017190: 322e 3536 2c2d 3630 382e 3720 3139 3934 2.56,-608.7 1994\n-000171a0: 2e39 372c 2d36 3031 2e30 3520 3139 3937 .97,-601.05 1997\n-000171b0: 2e33 342c 2d35 3932 2e33 3420 3230 3138 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6f6d ;module_src_grom\n-00017390: 6163 735f 6669 6c65 696f 202d 2d3e 0a3c acs_fileio -->.<\n-000173a0: 6720 6964 3d22 6564 6765 3134 3122 2063 g id=\"edge141\" c\n-000173b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-000173c0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-000173d0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-000173e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000173f0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n-00017400: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00017410: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00017420: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n-00017430: 3937 2e31 332c 2d36 3434 2e35 3943 3135 97.13,-644.59C15\n-00017440: 3838 2e35 372c 2d36 3134 2e30 3720 3135 88.57,-614.07 15\n-00017450: 3635 2e35 362c 2d35 3337 2e31 2031 3534 65.56,-537.1 154\n-00017460: 362e 3536 2c2d 3531 382e 3936 2031 3531 6.56,-518.96 151\n-00017470: 372e 3532 2c2d 3439 312e 3233 2031 3437 7.52,-491.23 147\n-00017480: 322e 3033 2c2d 3437 392e 3334 2031 3434 2.03,-479.34 144\n-00017490: 302e 3138 2c2d 3437 342e 3237 222f 3e0a 0.18,-474.27\"/>.\n-000174a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-000174b0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-000174c0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-000174d0: 2231 3434 302e 3334 2c2d 3437 302e 3736 \"1440.34,-470.76\n-000174e0: 2031 3432 392e 3934 2c2d 3437 322e 3820 1429.94,-472.8 \n-000174f0: 3134 3339 2e33 342c 2d34 3737 2e36 3820 1439.34,-477.68 \n-00017500: 3134 3430 2e33 342c 2d34 3730 2e37 3622 1440.34,-470.76\"\n-00017510: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00017520: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017530: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00017540: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017550: 5f6c 6973 7465 645f 666f 7263 6573 202d _listed_forces -\n-00017560: 2d3e 0a3c 6720 6964 3d22 6564 6765 3133 ->.<g id=\"edge13\n-00017570: 3922 2063 6c61 7373 3d22 6564 6765 223e 9\" class=\"edge\">\n-00017580: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00017590: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-000175a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000175b0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-000175c0: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n-000175d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000175e0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-000175f0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00017600: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00017610: 3136 3238 2e36 342c 2d36 3535 2e33 3443 1628.64,-655.34C\n-00017620: 3136 3839 2e33 352c 2d36 3531 2e31 3920 1689.35,-651.19 \n-00017630: 3138 3239 2e34 2c2d 3633 382e 3838 2031 1829.4,-638.88 1\n-00017640: 3836 352e 3536 2c2d 3630 382e 3720 3138 865.56,-608.7 18\n-00017650: 3930 2e33 352c 2d35 3838 2031 3935 372e 90.35,-588 1957.\n-00017660: 3937 2c2d 3337 342e 3436 2031 3938 342e 97,-374.46 1984.\n-00017670: 3935 2c2d 3330 342e 3222 2f3e 0a3c 706f 95,-304.2\"/>.<po\n-00017680: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-00017690: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-000176a0: 3266 6363 2220 706f 696e 7473 3d22 3139 2fcc\" points=\"19\n-000176b0: 3838 2e33 342c 2d33 3035 2e31 3420 3139 88.34,-305.14 19\n-000176c0: 3838 2e37 372c 2d32 3934 2e35 3520 3139 88.77,-294.55 19\n-000176d0: 3831 2e38 332c 2d33 3032 2e35 3620 3139 81.83,-302.56 19\n-000176e0: 3838 2e33 342c 2d33 3035 2e31 3422 2f3e 88.34,-305.14\"/>\n-000176f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00017700: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00017710: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00017720: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00017730: 7261 6a65 6374 6f72 7920 2d2d 3e0a 3c67 rajectory -->.<g\n-00017740: 2069 643d 2265 6467 6531 3336 2220 636c id=\"edge136\" cl\n-00017750: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00017760: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00017770: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n-00017780: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00017790: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-000177a0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y....\n-000178e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-00017930: 3c67 2069 643d 2265 6467 6531 3433 2220 .module_src_\n-00017960: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n-00017970: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017980: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00017990: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh....<\n-00017ac0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017ad0: 726f 6d61 6373 5f67 6d78 6c69 6226 2334 romacs_gmxlib\n-00017ae0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017af0: 5f67 726f 6d61 6373 5f65 7761 6c64 202d _gromacs_ewald -\n-00017b00: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134 ->.\n-00017b20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00017b30: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00017b40: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00017b50: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n-00017b60: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld..\n-00017cf0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-00017de0: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n-00017df0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00017e00: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib....\n-00017fd0: 0a3c 6720 6964 3d22 6564 6765 3134 3822 ..<\n-00017ff0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00018000: 5f67 726f 6d61 6373 5f67 6d78 6c69 6226 _gromacs_gmxlib&\n-00018010: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00018020: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-00018030: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...<\n-000181f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-00018260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00018270: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n-00018280: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018290: 6373 5f74 6162 6c65 733c 2f74 6974 6c65 cs_tables</title\n-000182a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000182b0: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-000182c0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-000182d0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-000182e0: 3834 302e 3834 2c2d 3135 382e 3238 4339 840.84,-158.28C9\n-000182f0: 3334 2e32 362c 2d31 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dule_src_gromacs\n-000183e0: 5f67 6d78 6c69 6226 2334 353b 2667 743b _gmxlib->\n-000183f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00018400: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d cs_commandline -\n-00018410: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134 ->.<g id=\"edge14\n-00018420: 3722 2063 6c61 7373 3d22 6564 6765 223e 7\" class=\"edge\">\n-00018430: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-00018440: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00018450: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-00018460: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00018470: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-00018480: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-00018570: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n-00018810: 3c67 2069 643d 2265 6467 6531 3536 2220 .module_src_\n-00018840: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-00018850: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00018860: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n-00018870: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..<\n-000188e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-000188f0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00018900: 706f 696e 7473 3d22 3234 3134 2e32 342c points=\"2414.24,\n-00018910: 2d31 3639 2e37 3620 3234 3233 2e30 372c -169.76 2423.07,\n-00018920: 2d31 3633 2e39 3120 3234 3132 2e35 322c -163.91 2412.52,\n-00018930: 2d31 3632 2e39 3720 3234 3134 2e32 342c -162.97 2414.24,\n-00018940: 2d31 3639 2e37 3622 2f3e 0a3c 2f67 3e0a -169.76\"/>..\n-00018950: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n-000189c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n-000189d0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n-000189e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000189f0: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-00018a00: 3e0a 3c70 6174 6820 6669 6c6c 3d22 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points=\"\n-00018af0: 3232 3735 2e30 342c 2d31 3031 372e 3937 2275.04,-1017.97\n-00018b00: 2032 3236 372e 3036 2c2d 3130 3234 2e39 2267.06,-1024.9\n-00018b10: 3320 3232 3737 2e36 342c 2d31 3032 342e 3 2277.64,-1024.\n-00018b20: 3436 2032 3237 352e 3034 2c2d 3130 3137 46 2275.04,-1017\n-00018b30: 2e39 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d .97\"/>.</g>.<!--\n-00018b40: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00018b50: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-00018b60: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00018b70: 6d61 6373 5f6d 646c 6962 202d 2d3e 0a3c macs_mdlib -->.<\n-00018b80: 6720 6964 3d22 6564 6765 3135 3422 2063 g id=\"edge154\" c\n-00018b90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-00018ba0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00018bb0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-00018bc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018bd0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-00018be0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00018bf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00018c00: 2362 6662 6662 6622 2064 3d22 4d32 3231 #bfbfbf\" d=\"M221\n-00018c10: 322e 3837 2c2d 3233 312e 3633 4332 3230 2.87,-231.63C220\n-00018c20: 312e 3631 2c2d 3238 392e 3137 2032 3132 1.61,-289.17 212\n-00018c30: 312e 3032 2c2d 3532 372e 3937 2031 3935 1.02,-527.97 195\n-00018c40: 352e 3536 2c2d 3630 382e 3720 3139 3030 5.56,-608.7 1900\n-00018c50: 2e37 382c 2d36 3335 2e34 3320 3137 3138 .78,-635.43 1718\n-00018c60: 2e37 362c 2d36 3530 2e30 3420 3136 3338 .76,-650.04 1638\n-00018c70: 2e36 392c 2d36 3535 2e30 3922 2f3e 0a3c .69,-655.09\"/>.<\n-00018c80: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00018c90: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00018ca0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00018cb0: 3136 3338 2e33 312c 2d36 3531 2e36 3120 1638.31,-651.61 \n-00018cc0: 3136 3238 2e35 352c 2d36 3535 2e37 3120 1628.55,-655.71 \n-00018cd0: 3136 3338 2e37 342c 2d36 3538 2e35 3920 1638.74,-658.59 \n-00018ce0: 3136 3338 2e33 312c 2d36 3531 2e36 3122 1638.31,-651.61\"\n-00018cf0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00018d00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00018d10: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n-00018d20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00018d30: 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 2069 _gmxlib -->.<g i\n-00018d40: 643d 2265 6467 6531 3537 2220 636c 6173 d=\"edge157\" clas\n-00018d50: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00018d60: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00018d70: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-00018d80: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00018d90: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib</tit\n-00018da0: 6c65 3e0a 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5f73 7263 .<!-- module_src\n-00018e90: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n-00018ea0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00018eb0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00018ec0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00018ed0: 6531 3532 2220 636c 6173 733d 2265 6467 e152\" class=\"edg\n-00018ee0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00018ef0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-00018f00: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n-00018f10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00018f20: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-00018f30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00018f40: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00018f50: 224d 3232 3135 2e39 352c 2d32 3331 2e35 \"M2215.95,-231.5\n-00018f60: 3143 3232 3231 2e31 312c 2d32 3536 2e35 1C2221.11,-256.5\n-00018f70: 3320 3232 3334 2e37 362c 2d33 3134 2e31 3 2234.76,-314.1\n-00018f80: 3720 3232 3538 2e35 362c 2d33 3537 2e32 7 2258.56,-357.2\n-00018f90: 3220 3232 3735 2e33 312c 2d33 3837 2e35 2 2275.31,-387.5\n-00018fa0: 3220 3232 3831 2e31 312c 2d33 3934 2e36 2 2281.11,-394.6\n-00018fb0: 3220 3233 3034 2e35 362c 2d34 3230 2e30 2 2304.56,-420.0\n-00018fc0: 3920 3233 3439 2e39 382c 2d34 3639 2e34 9 2349.98,-469.4\n-00018fd0: 3420 3233 3733 2e31 362c 2d34 3639 2e36 4 2373.16,-469.6\n-00018fe0: 2032 3431 382e 3536 2c2d 3531 382e 3936 2418.56,-518.96\n-00018ff0: 2032 3434 362e 3632 2c2d 3534 392e 3437 2446.62,-549.47\n-00019000: 2032 3437 332e 3536 2c2d 3535 322e 3832 2473.56,-552.82\n-00019010: 2032 3437 332e 3536 2c2d 3539 342e 3237 2473.56,-594.27\n-00019020: 2032 3437 332e 3536 2c2d 3732 322e 3031 2473.56,-722.01\n-00019030: 2032 3437 332e 3536 2c2d 3732 322e 3031 2473.56,-722.01\n-00019040: 2032 3437 332e 3536 2c2d 3732 322e 3031 2473.56,-722.01\n-00019050: 2032 3437 332e 3536 2c2d 3838 382e 3436 2473.56,-888.46\n-00019060: 2032 3331 392e 3135 2c2d 3838 332e 3039 2319.15,-883.09\n-00019070: 2032 3135 372e 3536 2c2d 3932 332e 3035 2157.56,-923.05\n-00019080: 2032 3032 322e 3933 2c2d 3935 362e 3335 2022.93,-956.35\n-00019090: 2031 3539 362e 3236 2c2d 3936 372e 3638 1596.26,-967.68\n-000190a0: 2031 3435 312e 3837 2c2d 3937 302e 3632 1451.87,-970.62\n-000190b0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>..\n-00019120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-00019190: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000191a0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n-000191b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000191c0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n-000191d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-00019320: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n-00019370: 0a3c 6720 6964 3d22 6564 6765 3135 3822 ..<\n-00019390: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000193a0: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n-000193b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000193c0: 635f 6772 6f6d 6163 735f 6c69 7374 6564 c_gromacs_listed\n-000193d0: 5f66 6f72 6365 733c 2f74 6974 6c65 3e0a _forces.\n-000193e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-00019460: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-00019520: 6720 6964 3d22 6564 6765 3136 3422 2063 g id=\"edge164\" c\n-00019530: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00019550: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-00019560: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019570: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-00019580: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n-00019680: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00019690: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-000196a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000196b0: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-000196c0: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->..mod\n-000196f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019700: 6d64 7479 7065 7326 2334 353b 2667 743b mdtypes->\n-00019710: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00019720: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00019730: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00019740: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00019750: 3238 3266 6363 2220 643d 224d 3134 3430 282fcc\" d=\"M1440\n-00019760: 2e37 312c 2d39 3735 2e37 3143 3134 3737 .71,-975.71C1477\n-00019770: 2e33 352c 2d39 3738 2e32 2031 3533 342e .35,-978.2 1534.\n-00019780: 3433 2c2d 3938 322e 3335 2031 3538 332e 43,-982.35 1583.\n-00019790: 3536 2c2d 3938 352e 3932 2031 3831 322e 56,-985.92 1812.\n-000197a0: 3133 2c2d 3130 3032 2e35 3320 3230 3834 13,-1002.53 2084\n-000197b0: 2e37 352c 2d31 3032 322e 3332 2032 3139 .75,-1022.32 219\n-000197c0: 332e 3439 2c2d 3130 3330 2e35 3122 2f3e 3.49,-1030.51\"/>\n-000197d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-000197e0: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-000197f0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00019800: 3d22 3231 3933 2e32 362c 2d31 3033 342e =\"2193.26,-1034.\n-00019810: 3031 2032 3230 332e 3439 2c2d 3130 3331 01 2203.49,-1031\n-00019820: 2e32 3720 3231 3933 2e37 392c 2d31 3032 .27 2193.79,-102\n-00019830: 372e 3033 2032 3139 332e 3236 2c2d 3130 7.03 2193.26,-10\n-00019840: 3334 2e30 3122 2f3e 0a3c 2f67 3e0a 3c21 34.01\"/>.</g>.<!\n-00019850: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00019860: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n-00019870: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00019880: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n-00019890: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n-000198a0: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n-000198b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-000198c0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-000198d0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-000198e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000198f0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib....<\n-00019a10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00019a20: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-00019a30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019a40: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00019a50: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-00019a80: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00019a90: 7970 6573 2623 3435 3b26 6774 3b6d 6f64 ypes->mod\n-00019aa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00019ab0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n-00019ac0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00019ad0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00019ae0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00019af0: 6179 3d22 352c 3222 2064 3d22 4d31 3431 ay=\"5,2\" d=\"M141\n-00019b00: 322e 3334 2c2d 3935 392e 3139 4331 3432 2.34,-959.19C142\n-00019b10: 332e 3034 2c2d 3934 392e 3637 2031 3434 3.04,-949.67 144\n-00019b20: 302e 3234 2c2d 3933 352e 3935 2031 3435 0.24,-935.95 145\n-00019b30: 342e 3536 2c2d 3932 332e 3035 2031 3437 4.56,-923.05 147\n-00019b40: 352e 332c 2d39 3034 2e33 3720 3134 3937 5.3,-904.37 1497\n-00019b50: 2e37 312c 2d38 3831 2e34 3820 3135 3134 .71,-881.48 1514\n-00019b60: 2e34 342c 2d38 3635 2e38 3722 2f3e 0a3c .44,-865.87\"/>.<\n-00019b70: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00019b80: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00019b90: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00019ba0: 3135 3137 2e31 322c 2d38 3638 2e31 3620 1517.12,-868.16 \n-00019bb0: 3135 3232 2e31 362c 2d38 3538 2e38 3420 1522.16,-858.84 \n-00019bc0: 3135 3132 2e34 312c 2d38 3632 2e39 3820 1512.41,-862.98 \n-00019bd0: 3135 3137 2e31 322c 2d38 3638 2e31 3622 1517.12,-868.16\"\n-00019be0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_gr\n-00019c60: 6f6d 6163 735f 6d64 7479 7065 7326 2334 omacs_mdtypes\n-00019c70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00019c80: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n-00019c90: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...<\n-00019ed0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00019f50: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00019f60: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n-00019f70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019f80: 5f61 7070 6c69 6564 5f66 6f72 6365 735f _applied_forces_\n-00019f90: 6177 683c 2f74 6974 6c65 3e0a 3c70 6174 awh......modu\n-0001a420: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0001a430: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n-0001a440: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001a450: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n-0001a460: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001a470: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001a480: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0001a490: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0001a4a0: 2220 643d 224d 3137 3632 2e36 312c 2d37 \" d=\"M1762.61,-7\n-0001a4b0: 3132 2e38 3343 3138 3732 2e38 342c 2d36 12.83C1872.84,-6\n-0001a4c0: 3933 2e33 3320 3231 3431 2e32 352c 2d36 93.33 2141.25,-6\n-0001a4d0: 3333 2e30 3320 3230 3538 2e35 362c 2d35 33.03 2058.56,-5\n-0001a4e0: 3138 2e39 3620 3230 3238 2e33 372c 2d34 18.96 2028.37,-4\n-0001a4f0: 3737 2e33 3120 3139 3837 2e35 332c 2d35 77.31 1987.53,-5\n-0001a500: 3136 2e35 3420 3139 3438 2e35 362c 2d34 16.54 1948.56,-4\n-0001a510: 3832 2e39 3620 3139 3134 2e37 362c 2d34 82.96 1914.76,-4\n-0001a520: 3533 2e38 3420 3139 3238 2e36 312c 2d34 53.84 1928.61,-4\n-0001a530: 3330 2e31 3420 3139 3033 2e35 362c 2d33 30.14 1903.56,-3\n-0001a540: 3933 2e32 3220 3138 3430 2e35 322c 2d33 93.22 1840.52,-3\n-0001a550: 3030 2e33 3320 3138 3331 2e38 362c 2d32 00.33 1831.86,-2\n-0001a560: 3632 2e33 3120 3137 3335 2e35 362c 2d32 62.31 1735.56,-2\n-0001a570: 3034 2e36 3120 3136 3837 2e32 2c2d 3137 04.61 1687.2,-17\n-0001a580: 352e 3634 2031 3632 322e 3533 2c2d 3136 5.64 1622.53,-16\n-0001a590: 332e 3938 2031 3537 392e 3736 2c2d 3135 3.98 1579.76,-15\n-0001a5a0: 392e 3322 2f3e 0a3c 706f 6c79 676f 6e20 9.3\"/>.<polygon \n-0001a5b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-0001a5c0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-0001a5d0: 706f 696e 7473 3d22 3135 3739 2e39 352c points=\"1579.95,\n-0001a5e0: 2d31 3535 2e38 3120 3135 3639 2e36 352c -155.81 1569.65,\n-0001a5f0: 2d31 3538 2e32 3820 3135 3739 2e32 352c -158.28 1579.25,\n-0001a600: 2d31 3632 2e37 3720 3135 3739 2e39 352c -162.77 1579.95,\n-0001a610: 2d31 3535 2e38 3122 2f3e 0a3c 2f67 3e0a -155.81\"/>.</g>.\n-0001a620: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001a630: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0001a640: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-0001a650: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001a660: 735f 6d64 7275 6e75 7469 6c69 7479 202d s_mdrunutility -\n-0001a670: 2d3e 0a3c 6720 6964 3d22 6564 6765 3137 ->.<g id=\"edge17\n-0001a680: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n-0001a690: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001a6a0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-0001a6b0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-0001a6c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001a6d0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0001a6e0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n-0001a7e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-0001a860: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0001a870: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-0001a880: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001a890: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-0001a8a0: 6365 7373 3c2f 7469 746c 653e 0a3c 7061 cess......modul\n-0001aa50: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001aa60: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001aa70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001aa80: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-0001aa90: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001aaa0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001aab0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001aac0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001aad0: 643d 224d 3136 3935 2e35 352c 2d37 3038 d=\"M1695.55,-708\n-0001aae0: 2e35 3643 3136 3736 2e32 372c 2d36 3938 .56C1676.27,-698\n-0001aaf0: 2e35 3220 3136 3438 2e31 372c 2d36 3833 .52 1648.17,-683\n-0001ab00: 2e39 2031 3632 372e 3533 2c2d 3637 332e .9 1627.53,-673.\n-0001ab10: 3137 222f 3e0a 3c70 6f6c 7967 6f6e 2066 17\"/>.<polygon f\n-0001ab20: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0001ab30: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0001ab40: 6f69 6e74 733d 2231 3632 392e 3132 2c2d oints=\"1629.12,-\n-0001ab50: 3637 302e 3035 2031 3631 382e 3633 2c2d 670.05 1618.63,-\n-0001ab60: 3636 382e 3534 2031 3632 352e 3839 2c2d 668.54 1625.89,-\n-0001ab70: 3637 362e 3236 2031 3632 392e 3132 2c2d 676.26 1629.12,-\n-0001ab80: 3637 302e 3035 222f 3e0a 3c2f 673e 0a3c 670.05\"/>.</g>.<\n-0001ab90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001aba0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001abb0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001abc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001abd0: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069 _random -->.<g i\n-0001abe0: 643d 2265 6467 6531 3737 2220 636c 6173 d=\"edge177\" clas\n-0001abf0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001ac00: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001ac10: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0001ac20: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001ac30: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n-0001ac40: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom...<\n-0001adc0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-0001ae10: 0a3c 6720 6964 3d22 6564 6765 3137 3022 ..<\n-0001ae30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001ae40: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0001ae50: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-0001ae60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ae70: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib......module\n-0001b000: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0001b010: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-0001b020: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001b030: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n-0001b040: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001b050: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001b060: 2223 6266 6266 6266 2220 643d 224d 3137 \"#bfbfbf\" d=\"M17\n-0001b070: 3037 2e33 342c 2d37 3334 2e34 3543 3136 07.34,-734.45C16\n-0001b080: 3836 2e30 332c 2d37 3539 2e39 3520 3136 86.03,-759.95 16\n-0001b090: 3334 2e36 2c2d 3831 392e 3134 2031 3538 34.6,-819.14 158\n-0001b0a0: 332e 3536 2c2d 3836 302e 3138 2031 3533 3.56,-860.18 153\n-0001b0b0: 342e 3431 2c2d 3839 392e 3731 2031 3437 4.41,-899.71 147\n-0001b0c0: 302e 3234 2c2d 3933 362e 3237 2031 3433 0.24,-936.27 143\n-0001b0d0: 332e 3239 2c2d 3935 362e 3037 222f 3e0a 3.29,-956.07\"/>.\n-0001b0e0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0001b0f0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-0001b100: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-0001b110: 2231 3433 312e 3236 2c2d 3935 332e 3139 \"1431.26,-953.19\n-0001b120: 2031 3432 342e 3037 2c2d 3936 302e 3937 1424.07,-960.97\n-0001b130: 2031 3433 342e 3534 2c2d 3935 392e 3337 1434.54,-959.37\n-0001b140: 2031 3433 312e 3236 2c2d 3935 332e 3139 1431.26,-953.19\n-0001b150: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0001b160: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b170: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001b180: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001b190: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001b1a0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-0001b1b0: 6531 3733 2220 636c 6173 733d 2265 6467 e173\" class=\"edg\n-0001b1c0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001b1d0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001b1e0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001b1f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001b200: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec</\n-0001b210: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001b220: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001b230: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001b240: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001b250: 2064 3d22 4d31 3730 302e 3232 2c2d 3733 d=\"M1700.22,-73\n-0001b260: 332e 3939 4331 3636 382e 3331 2c2d 3735 3.99C1668.31,-75\n-0001b270: 362e 3035 2031 3630 302e 3231 2c2d 3830 6.05 1600.21,-80\n-0001b280: 332e 3133 2031 3536 332e 342c 2d38 3238 3.13 1563.4,-828\n-0001b290: 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3e6d 6f64 dge\">.<title>mod\n-0001b380: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b390: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0001b3a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001b3b0: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-0001b3c0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......m\n-0001b590: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b5a0: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n-0001b5b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001b5c0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-0001b5d0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-0001b5e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-0001b890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b8a0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001b8b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001b8c0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0001b8d0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o.\n-0001b9a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-0001ba60: 6720 6964 3d22 6564 6765 3139 3022 2063 g id=\"edge190\" c\n+0000dcf0: 635f 6772 6f6d 6163 735f 696d 6420 2d2d c_gromacs_imd --\n+0000dd00: 3e0a 3c67 2069 643d 2265 6467 6537 3722 >..<\n+0000dd20: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000dd30: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+0000dd40: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+0000dd50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000dd60: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70 s_imd......m\n+0000e190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e1a0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+0000e1b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000e1c0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+0000e1d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+0000e3e0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+0000e3f0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+0000e400: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000e410: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+0000e420: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.....<\n+0000e690: 6720 6964 3d22 6564 6765 3638 2220 636c g id=\"edge68\" cl\n+0000e6a0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000e6c0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0000e6d0: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+0000e6e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000e6f0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......module_src_gro\n+0000eb80: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+0000eb90: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n+0000eba0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000ebb0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+0000ebc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000ed20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0000ed90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000eda0: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+0000edb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000edc0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+0000edd0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000ede0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+0000edf0: 6266 6266 2220 643d 224d 3839 352e 3331 bfbf\" d=\"M895.31\n+0000ee00: 2c2d 3738 392e 3237 4338 3637 2e38 362c ,-789.27C867.86,\n+0000ee10: 2d37 3934 2e36 3620 3833 312e 3434 2c2d -794.66 831.44,-\n+0000ee20: 3830 362e 3634 2038 3131 2e35 362c 2d38 806.64 811.56,-8\n+0000ee30: 3333 2e33 3120 3738 362e 3435 2c2d 3836 33.31 786.45,-86\n+0000ee40: 362e 3939 2037 3930 2e39 352c 2d39 3139 6.99 790.95,-919\n+0000ee50: 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6522 3e0a \" class=\"edge\">.\n+0000ef40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000ef50: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0000ef60: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000ef70: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+0000ef80: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils.<\n+0000ef90: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000efa0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000efb0: 2220 643d 224d 3935 322e 3134 2c2d 3739 \" d=\"M952.14,-79\n+0000efc0: 342e 3936 4339 3638 2e35 362c 2d38 3034 4.96C968.56,-804\n+0000efd0: 2e30 3220 3939 302e 3836 2c2d 3831 372e .02 990.86,-817.\n+0000efe0: 3532 2031 3030 372e 342c 2d38 3238 2e33 52 1007.4,-828.3\n+0000eff0: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>....\n+0000f0d0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000f0e0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000f0f0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000f100: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0000f110: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec....<\n+0000f2c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000f2d0: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n+0000f2e0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f2f0: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n+0000f300: 2d2d 3e0a 3c67 2069 643d 2265 6467 6538 -->.\n+0000f320: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000f330: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000f340: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000f350: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0000f360: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald...\n+0000f4f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0000f560: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000f570: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+0000f580: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000f590: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0000f5a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+0000f730: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000f740: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000f750: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000f760: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000f770: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+0000f780: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n+0000fa60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000fa70: 5f63 6f6f 7264 696e 6174 6569 6f3c 2f74 _coordinateio</t\n+0000fa80: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n+0000fa90: 6f64 6531 3922 3e3c 6120 786c 696e 6b3a ode19\"><a xlink:\n+0000faa0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+0000fab0: 756c 655f 5f63 6f6f 7264 696e 6174 6569 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font-size=\n+0000fba0: 2231 302e 3030 223e 636f 6f72 6469 6e61 \"10.00\">coordina\n+0000fbb0: 7465 696f 3c2f 7465 7874 3e0a 3c2f 613e teio</text>.</a>\n+0000fbc0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .</g>.</g>.<!-- \n+0000fbd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000fbe0: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n+0000fbf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000fc00: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+0000fc10: 6e73 202d 2d3e 0a3c 6720 6964 3d22 6564 ns -->.<g id=\"ed\n+0000fc20: 6765 3839 2220 636c 6173 733d 2265 6467 ge89\" class=\"edg\n+0000fc30: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000fc40: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0000fc50: 6f72 6469 6e61 7465 696f 2623 3435 3b26 ordinateio-&\n+0000fc60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000fc70: 6f6d 6163 735f 6f70 7469 6f6e 733c 2f74 omacs_options</t\n+0000fc80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000fc90: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000fca0: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+0000fcb0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000fcc0: 643d 224d 3138 3938 2e35 352c 2d37 3037 d=\"M1898.55,-707\n+0000fcd0: 2e39 3343 3139 3535 2e34 382c 2d36 3530 .93C1955.48,-650\n+0000fce0: 2e35 3820 3231 3939 2e30 332c 2d34 3035 .58 2199.03,-405\n+0000fcf0: 2e34 3220 3232 3736 2e35 362c 2d33 3330 .42 2276.56,-330\n+0000fd00: 2e33 3520 3233 3634 2e35 372c 2d32 3435 .35 2364.57,-245\n+0000fd10: 2e31 3320 3233 3732 2e39 2c2d 3230 352e .13 2372.9,-205.\n+0000fd20: 3420 3234 3737 2e35 362c 2d31 3431 2e37 4 2477.56,-141.7\n+0000fd30: 3420 3235 3233 2e30 362c 2d31 3134 2e30 4 2523.06,-114.0\n+0000fd40: 3720 3236 3136 2e38 332c 2d31 3136 2e39 7 2616.83,-116.9\n+0000fd50: 3120 3235 3739 2e35 362c 2d37 382e 3837 1 2579.56,-78.87\n+0000fd60: 2032 3533 372e 3631 2c2d 3336 2e30 3420 2537.61,-36.04 \n+0000fd70: 3539 322e 3239 2c2d 3331 2e30 3320 3237 592.29,-31.03 27\n+0000fd80: 322e 3736 2c2d 3330 2e34 3922 2f3e 0a3c 2.76,-30.49\"/>.<\n+0000fd90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000fda0: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+0000fdb0: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+0000fdc0: 3237 322e 3531 2c2d 3236 2e39 3920 3236 272.51,-26.99 26\n+0000fdd0: 322e 352c 2d33 302e 3438 2032 3732 2e35 2.5,-30.48 272.5\n+0000fde0: 2c2d 3333 2e39 3920 3237 322e 3531 2c2d ,-33.99 272.51,-\n+0000fdf0: 3236 2e39 3922 2f3e 0a3c 2f67 3e0a 3c21 26.99\"/>.</g>.<!\n+0000fe00: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0000fe10: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+0000fe20: 756c 6174 6f72 202d 2d3e 0a3c 6720 6964 ulator -->.<g id\n+0000fe30: 3d22 6e6f 6465 3230 2220 636c 6173 733d =\"node20\" class=\n+0000fe40: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n+0000fe50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fe60: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+0000fe70: 6f72 3c2f 7469 746c 653e 0a3c 6720 6964 or..\n+0000fef0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .modularsimu\n+0000ffb0: 6c61 746f 723c 2f74 6578 743e 0a3c 2f61 lator......m\n+00010040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010050: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00010060: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00010070: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00010080: 6d70 6174 3c2f 7469 746c 653e 0a3c 7061 mpat....<\n+000101b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000101c0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+000101d0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+000101e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000101f0: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->..module_src_grom\n+00010230: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00010240: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00010250: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010260: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......mod\n+00010810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010820: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00010830: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00010840: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+00010850: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+00010860: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+000109b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+00010a30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00010a40: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00010a50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00010a60: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00010a70: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n+00010a80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00010b30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n+00010c20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00010c30: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00010c40: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00010c50: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00010c60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n+00010e10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00010e20: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00010e30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00010e40: 7372 635f 6772 6f6d 6163 735f 6770 755f src_gromacs_gpu_\n+00010e50: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils....<\n+00010f80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010f90: 726f 6d61 6373 5f70 756c 6c69 6e67 202d romacs_pulling 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module_s\n+00011470: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+00011480: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+00011490: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000114a0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+000114b0: 6e6d 656e 7420 2d2d 3e0a 3c67 2069 643d nment -->.<g id=\n+000114c0: 2265 6467 6531 3031 2220 636c 6173 733d \"edge101\" class=\n+000114d0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+000114e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000114f0: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00011500: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00011510: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00011520: 736b 6173 7369 676e 6d65 6e74 3c2f 7469 skassignment</ti\n+00011530: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00011540: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00011550: 6564 2220 643d 224d 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6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00011730: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00011740: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00011750: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec..\n+00011880: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n+000118f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00011900: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+00011910: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n+00011920: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00011930: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald</ti\n+00011940: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00011950: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+00011960: 6564 2220 643d 224d 3132 3331 2e31 372c ed\" d=\"M1231.17,\n+00011970: 2d35 3839 2e34 3243 3134 3433 2c2d 3537 -589.42C1443,-57\n+00011980: 312e 3131 2032 3135 362e 3536 2c2d 3530 1.11 2156.56,-50\n+00011990: 322e 3432 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6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00011d40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011d50: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+00011d60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00011d70: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00011d80: 2220 643d 224d 3131 3636 2e34 372c 2d35 \" d=\"M1166.47,-5\n+00011d90: 3831 2e35 4331 3135 332e 3234 2c2d 3535 81.5C1153.24,-55\n+00011da0: 332e 3138 2031 3132 312e 3833 2c2d 3438 3.18 1121.83,-48\n+00011db0: 322e 3620 3131 3036 2e35 362c 2d34 3230 2.6 1106.56,-420\n+00011dc0: 2e30 3920 3130 3835 2e31 372c 2d33 3332 .09 1085.17,-332\n+00011dd0: 2e35 3220 3130 3738 2e33 372c 2d32 3234 .52 1078.37,-224\n+00011de0: 2e38 3920 3130 3736 2e33 352c 2d31 3738 .89 1076.35,-178\n+00011df0: 2e38 3322 2f3e 0a3c 706f 6c79 676f 6e20 .83\"/>...\n+00011e70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n+00011ec0: 6720 6964 3d22 6564 6765 3130 3422 2063 g id=\"edge104\" 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3036 4331 3035 5.09,-586.06C105\n+00012120: 342e 392c 2d35 3733 2e39 3220 3932 342e 4.9,-573.92 924.\n+00012130: 3737 2c2d 3535 312e 3432 2038 3539 2e37 77,-551.42 859.7\n+00012140: 312c 2d35 3430 2e31 3722 2f3e 0a3c 706f 1,-540.17\"/>...\n+000121c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+00012230: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012240: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 2623 cs_commandline&#\n+00012250: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012260: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+00012270: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n+00012360: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+000123b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000123c0: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n+000123d0: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n+000123e0: 6f64 6534 3422 3e3c 6120 786c 696e 6b3a ode44\"><a xlink:\n+000123f0: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n+00012400: 756c 655f 5f6f 6e6c 696e 6568 656c 702e ule__onlinehelp.\n+00012410: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n+00012420: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n+00012430: 3d22 6f6e 6c69 6e65 6865 6c70 223e 0a3c =\"onlinehelp\">.<\n+00012440: 656c 6c69 7073 6520 6669 6c6c 3d22 2366 ellipse fill=\"#f\n+00012450: 6665 3463 6322 2073 7472 6f6b 653d 2262 fe4cc\" stroke=\"b\n+00012460: 6c61 636b 2220 6378 3d22 3230 3433 2e35 lack\" cx=\"2043.5\n+00012470: 3622 2063 793d 222d 3239 2e34 3422 2072 6\" cy=\"-29.44\" r\n+00012480: 783d 2234 322e 3335 2220 7279 3d22 3133 x=\"42.35\" ry=\"13\n+00012490: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.<text tex\n+000124a0: 742d 616e 6368 6f72 3d22 6d69 6464 6c65 t-anchor=\"middle\n+000124b0: 2220 783d 2232 3034 332e 3536 2220 793d \" x=\"2043.56\" y=\n+000124c0: 222d 3236 2e39 3422 2066 6f6e 742d 6661 \"-26.94\" font-fa\n+000124d0: 6d69 6c79 3d22 4672 6565 5361 6e73 2220 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6e65 6865 6c70 3c2f 7469 746c onlinehelp</titl\n+000125d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000125e0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+000125f0: 3266 6363 2220 643d 224d 3136 3032 2e33 2fcc\" d=\"M1602.3\n+00012600: 382c 2d38 352e 3538 4331 3639 342e 3335 8,-85.58C1694.35\n+00012610: 2c2d 3734 2e30 3820 3139 3030 2e37 2c2d ,-74.08 1900.7,-\n+00012620: 3438 2e32 3920 3139 3934 2e39 352c 2d33 48.29 1994.95,-3\n+00012630: 362e 3531 222f 3e0a 3c70 6f6c 7967 6f6e 6.51\"/>.<polygon\n+00012640: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+00012650: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00012660: 2070 6f69 6e74 733d 2231 3939 352e 3537 points=\"1995.57\n+00012670: 2c2d 3339 2e39 3620 3230 3035 2e30 362c ,-39.96 2005.06,\n+00012680: 2d33 352e 3235 2031 3939 342e 372c 2d33 -35.25 1994.7,-3\n+00012690: 332e 3031 2031 3939 352e 3537 2c2d 3339 3.01 1995.57,-39\n+000126a0: 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .96\"/>.</g>.<!--\n+000126b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000126c0: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n+000126d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000126e0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+000126f0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n+00012700: 6531 3036 2220 636c 6173 733d 2265 6467 e106\" class=\"edg\n+00012710: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00012720: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+00012730: 6d6d 616e 646c 696e 6526 2334 353b 2667 mmandline-&g\n+00012740: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00012750: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+00012760: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00012770: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00012780: 6662 6662 6622 2064 3d22 4d31 3535 392e fbfbf\" 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2d36 3438 2e30 3820 3133 3038 2e35 8,-648.08 1308.5\n+00012880: 332c 2d36 3436 2e33 3520 3133 3035 2e31 3,-646.35 1305.1\n+00012890: 372c 2d36 3430 2e32 3122 2f3e 0a3c 2f67 7,-640.21\"/>.</g\n+000128a0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000128b0: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n+000128c0: 746f 7279 616e 616c 7973 6973 202d 2d3e toryanalysis -->\n+000128d0: 0a3c 6720 6964 3d22 6e6f 6465 3232 2220 .<g id=\"node22\" \n+000128e0: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n+000128f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00012900: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00012910: 7279 616e 616c 7973 6973 3c2f 7469 746c ryanalysis</titl\n+00012920: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+00012930: 3232 223e 3c61 2078 6c69 6e6b 3a68 7265 22\"><a xlink:hre\n+00012940: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+00012950: 5f5f 7472 616a 6563 746f 7279 616e 616c __trajectoryanal\n+00012960: 7973 6973 2e78 6874 6d6c 2220 7461 7267 ysis.xhtml\" targ\n+00012970: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n+00012980: 7469 746c 653d 2274 7261 6a65 6374 6f72 title=\"trajector\n+00012990: 7961 6e61 6c79 7369 7322 3e0a 3c65 6c6c yanalysis\">.<ell\n+000129a0: 6970 7365 2066 696c 6c3d 2223 6666 6363 ipse fill=\"#ffcc\n+000129b0: 6363 2220 7374 726f 6b65 3d22 626c 6163 cc\" stroke=\"blac\n+000129c0: 6b22 2063 783d 2231 3839 362e 3536 2220 k\" cx=\"1896.56\" \n+000129d0: 6379 3d22 2d37 3833 2e38 3822 2072 783d cy=\"-783.88\" rx=\n+000129e0: 2236 352e 3131 2220 7279 3d22 3133 2e33 \"65.11\" ry=\"13.3\n+000129f0: 3722 2f3e 0a3c 7465 7874 2074 6578 742d 7\"/>.<text text-\n+00012a00: 616e 6368 6f72 3d22 6d69 6464 6c65 2220 anchor=\"middle\" \n+00012a10: 783d 2231 3839 362e 3536 2220 793d 222d x=\"1896.56\" y=\"-\n+00012a20: 3738 312e 3338 2220 666f 6e74 2d66 616d 781.38\" font-fam\n+00012a30: 696c 793d 2246 7265 6553 616e 7322 2066 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6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00012b30: 726f 6d61 6373 5f61 6e61 6c79 7369 7364 romacs_analysisd\n+00012b40: 6174 613c 2f74 6974 6c65 3e0a 3c70 6174 ata..\n+00012c40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00012cc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00012cd0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+00012ce0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00012cf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012d00: 5f73 7461 7469 7374 6963 733c 2f74 6974 _statistics</tit\n+00012d10: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00012d20: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00012d30: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00012d40: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00012d50: 224d 3139 3232 2e33 332c 2d37 3731 2e34 \"M1922.33,-771.4\n+00012d60: 3343 3139 3434 2e36 372c 2d37 3631 2e35 3C1944.67,-761.5\n+00012d70: 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3c67 cs_random -->.<g\n+00012e60: 2069 643d 2265 6467 6531 3132 2220 636c id=\"edge112\" cl\n+00012e70: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00012e80: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00012e90: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00012ea0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+00012eb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012ec0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n+00012ed0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00012ee0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+00012ef0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+00012f00: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+00012f10: 3931 362e 3732 2c2d 3737 302e 3931 4331 916.72,-770.91C1\n+00012f20: 3933 302e 3138 2c2d 3736 322e 3134 2031 930.18,-762.14 1\n+00012f30: 3934 372e 3535 2c2d 3734 392e 3232 2031 947.55,-749.22 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342e 3536 2032 3035 332e 56,-294.56 2053.\n+00013030: 3036 2c2d 3330 342e 3536 2032 3036 302e 06,-304.56 2060.\n+00013040: 3036 2c2d 3330 342e 3536 222f 3e0a 3c2f 06,-304.56\"/>.</\n+00013050: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00013060: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+00013070: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n+00013080: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00013090: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+000130a0: 726f 6365 7373 202d 2d3e 0a3c 6720 6964 rocess -->.<g id\n+000130b0: 3d22 6564 6765 3131 3522 2063 6c61 7373 =\"edge115\" class\n+000130c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000130d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000130e0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+000130f0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00013100: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00013110: 5f67 6d78 7072 6570 726f 6365 7373 3c2f _gmxpreprocess</\n+00013120: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00013130: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00013140: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+00013150: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00013160: 2064 3d22 4d31 3934 362e 332c 2d37 3932 d=\"M1946.3,-792\n+00013170: 2e36 3643 3230 3636 2e32 382c 2d38 3133 .66C2066.28,-813\n+00013180: 2e34 2032 3335 342e 372c 2d38 3735 2e39 .4 2354.7,-875.9\n+00013190: 3820 3232 3537 2e35 362c 2d39 3835 2e39 8 2257.56,-985.9\n+000131a0: 3220 3232 3032 2e36 2c2d 3130 3438 2e31 2 2202.6,-1048.1\n+000131b0: 3220 3136 3235 2e38 312c 2d31 3038 332e 2 1625.81,-1083.\n+000131c0: 3533 2031 3432 372e 3237 2c2d 3130 3933 53 1427.27,-1093\n+000131d0: 2e39 3522 2f3e 0a3c 706f 6c79 676f 6e20 .95\"/>.<polygon \n+000131e0: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+000131f0: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+00013200: 706f 696e 7473 3d22 3134 3237 2e30 362c points=\"1427.06,\n+00013210: 2d31 3039 302e 3436 2031 3431 372e 3236 -1090.46 1417.26\n+00013220: 2c2d 3130 3934 2e34 3720 3134 3237 2e34 ,-1094.47 1427.4\n+00013230: 332c 2d31 3039 372e 3435 2031 3432 372e 3,-1097.45 1427.\n+00013240: 3036 2c2d 3130 3930 2e34 3622 2f3e 0a3c 06,-1090.46\"/>.<\n+00013250: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00013260: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00013270: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+00013280: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013290: 635f 6772 6f6d 6163 735f 636f 6f72 6469 c_gromacs_coordi\n+000132a0: 6e61 7465 696f 202d 2d3e 0a3c 6720 6964 nateio -->.<g id\n+000132b0: 3d22 6564 6765 3131 3322 2063 6c61 7373 =\"edge113\" class\n+000132c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000132d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000132e0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n+000132f0: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+00013300: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00013310: 5f63 6f6f 7264 696e 6174 6569 6f3c 2f74 _coordinateio</t\n+00013320: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00013330: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00013340: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00013350: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00013360: 643d 224d 3138 3934 2e34 392c 2d37 3730 d=\"M1894.49,-770\n+00013370: 2e32 3643 3138 3933 2e32 372c 2d37 3632 .26C1893.27,-762\n+00013380: 2e38 3420 3138 3931 2e36 392c 2d37 3533 .84 1891.69,-753\n+00013390: 2e32 3220 3138 3930 2e32 362c 2d37 3434 .22 1890.26,-744\n+000133a0: 2e35 3322 2f3e 0a3c 706f 6c79 676f 6e20 .53\"/>.<polygon \n+000133b0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+000133c0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+000133d0: 706f 696e 7473 3d22 3138 3933 2e37 2c2d points=\"1893.7,-\n+000133e0: 3734 332e 3920 3138 3838 2e36 332c 2d37 743.9 1888.63,-7\n+000133f0: 3334 2e36 2031 3838 362e 382c 2d37 3435 34.6 1886.8,-745\n+00013400: 2e30 3420 3138 3933 2e37 2c2d 3734 332e .04 1893.7,-743.\n+00013410: 3922 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 9\"/>.</g>.<!-- m\n+00013420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013430: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n+00013440: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n+00013450: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013460: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n+00013470: 3c67 2069 643d 2265 6467 6531 3130 2220 <g id=\"edge110\" \n+00013480: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00013490: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+000134a0: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+000134b0: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+000134c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000134d0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+000134e0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module_src_gr\n+00013720: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00013730: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+00013740: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00013750: 6163 735f 676d 7861 6e61 3c2f 7469 746c acs_gmxana....<\n+00013890: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000138a0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+000138b0: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000138c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000138d0: 6d61 6373 5f66 696c 6569 6f20 2d2d 3e0a macs_fileio -->.\n+000138e0: 3c67 2069 643d 2265 6467 6531 3039 2220 .module_src_\n+00013910: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00013920: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+00013930: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013940: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio..\n+00013a30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_\n+00013ab0: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n+00013ac0: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+00013ad0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00013ae0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n+00013af0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00013b00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00013b10: 7265 6422 2064 3d22 4d31 3635 342e 3039 red\" d=\"M1654.09\n+00013b20: 2c2d 3233 312e 3536 4331 3637 302e 3335 ,-231.56C1670.35\n+00013b30: 2c2d 3235 392e 3420 3137 3038 2e33 332c ,-259.4 1708.33,\n+00013b40: 2d33 3239 2e30 3520 3137 3231 2e35 362c -329.05 1721.56,\n+00013b50: 2d33 3933 2e32 3220 3137 3335 2e32 372c -393.22 1735.27,\n+00013b60: 2d34 3539 2e37 2031 3733 382e 332c 2d34 -459.7 1738.3,-4\n+00013b70: 3831 2e38 3720 3137 3135 2e35 362c 2d35 81.87 1715.56,-5\n+00013b80: 3435 2e38 3320 3137 3039 2e31 322c 2d35 45.83 1709.12,-5\n+00013b90: 3633 2e39 3520 3137 3032 2e31 312c 2d35 63.95 1702.11,-5\n+00013ba0: 3635 2e37 3620 3136 3931 2e35 362c 2d35 65.76 1691.56,-5\n+00013bb0: 3831 2e38 3320 3136 3635 2e35 2c2d 3632 81.83 1665.5,-62\n+00013bc0: 312e 3533 2031 3636 392e 3433 2c2d 3634 1.53 1669.43,-64\n+00013bd0: 302e 3435 2031 3633 332e 3536 2c2d 3637 0.45 1633.56,-67\n+00013be0: 312e 3537 2031 3630 342e 3732 2c2d 3639 1.57 1604.72,-69\n+00013bf0: 362e 3539 2031 3538 372e 3437 2c2d 3638 6.59 1587.47,-68\n+00013c00: 362e 3620 3135 3535 2e35 362c 2d37 3037 6.6 1555.56,-707\n+00013c10: 2e35 3720 3135 3430 2e36 2c2d 3731 372e .57 1540.6,-717.\n+00013c20: 3420 3135 3430 2e36 362c 2d37 3234 2e38 4 1540.66,-724.8\n+00013c30: 3320 3135 3235 2e35 362c 2d37 3334 2e34 3 1525.56,-734.4\n+00013c40: 3420 3134 3035 2e33 312c 2d38 3130 2e39 4 1405.31,-810.9\n+00013c50: 3520 3133 3632 2e32 2c2d 3830 352e 3536 5 1362.2,-805.56\n+00013c60: 2031 3233 302e 3536 2c2d 3836 302e 3138 1230.56,-860.18\n+00013c70: 2031 3230 312e 3536 2c2d 3837 322e 3231 1201.56,-872.21\n+00013c80: 2031 3136 382e 3436 2c2d 3838 352e 3534 1168.46,-885.54\n+00013c90: 2031 3134 342e 3338 2c2d 3839 352e 3137 1144.38,-895.17\n+00013ca0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00013cb0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n+00013cc0: 7265 6422 2070 6f69 6e74 733d 2231 3134 red\" points=\"114\n+00013cd0: 322e 3937 2c2d 3839 312e 3936 2031 3133 2.97,-891.96 113\n+00013ce0: 342e 3938 2c2d 3839 382e 3932 2031 3134 4.98,-898.92 114\n+00013cf0: 352e 3536 2c2d 3839 382e 3436 2031 3134 5.56,-898.46 114\n+00013d00: 322e 3937 2c2d 3839 312e 3936 222f 3e0a 2.97,-891.96\"/>.\n+00013d10: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00013d20: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00013d30: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n+00013d40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00013d50: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+00013d60: 3c67 2069 643d 2265 6467 6531 3138 2220 <g id=\"edge118\" \n+00013d70: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00013d80: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00013d90: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00013da0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00013db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00013dc0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00013dd0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00013de0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00013df0: 2220 643d 224d 3136 3634 2e35 2c2d 3233 \" d=\"M1664.5,-23\n+00013e00: 302e 3735 4331 3637 342e 3336 2c2d 3234 0.75C1674.36,-24\n+00013e10: 302e 3139 2031 3638 352e 362c 2d32 3534 0.19 1685.6,-254\n+00013e20: 2e30 3620 3136 3933 2e35 362c 2d32 3637 .06 1693.56,-267\n+00013e30: 2e34 3820 3137 3433 2e38 332c 2d33 3532 .48 1743.83,-352\n+00013e40: 2e32 3120 3137 3534 2e38 342c 2d33 3834 .21 1754.84,-384\n+00013e50: 2e38 3820 3137 3435 2e35 362c 2d34 3832 .88 1745.56,-482\n+00013e60: 2e39 3620 3137 3432 2e38 382c 2d35 3131 .96 1742.88,-511\n+00013e70: 2e32 3820 3137 3433 2e34 332c 2d35 3139 .28 1743.43,-519\n+00013e80: 2e31 3520 3137 3333 2e35 362c 2d35 3435 .15 1733.56,-545\n+00013e90: 2e38 3320 3137 3237 2e39 342c 2d35 3631 .83 1727.94,-561\n+00013ea0: 2e30 3320 3136 3731 2e35 332c 2d36 3630 .03 1671.53,-660\n+00013eb0: 2e36 3420 3136 3539 2e35 362c 2d36 3731 .64 1659.56,-671\n+00013ec0: 2e35 3720 3136 3332 2e35 352c 2d36 3936 .57 1632.55,-696\n+00013ed0: 2e32 3320 3136 3038 2e30 392c 2d36 3738 .23 1608.09,-678\n+00013ee0: 2e37 3620 3135 3835 2e35 362c 2d37 3037 .76 1585.56,-707\n+00013ef0: 2e35 3720 3135 3634 2e34 382c 2d37 3334 .57 1564.48,-734\n+00013f00: 2e35 3220 3135 3639 2e35 362c 2d37 3438 .52 1569.56,-748\n+00013f10: 2e36 3620 3135 3639 2e35 362c 2d37 3832 .66 1569.56,-782\n+00013f20: 2e38 3820 3135 3639 2e35 362c 2d38 3437 .88 1569.56,-847\n+00013f30: 2e37 3520 3135 3639 2e35 362c 2d38 3437 .75 1569.56,-847\n+00013f40: 2e37 3520 3135 3639 2e35 362c 2d38 3437 .75 1569.56,-847\n+00013f50: 2e37 3520 3135 3639 2e35 362c 2d39 3233 .75 1569.56,-923\n+00013f60: 2039 3837 2e34 332c 2d39 3631 2e30 3120 987.43,-961.01 \n+00013f70: 3833 302e 3836 2c2d 3936 392e 3539 222f 830.86,-969.59\"/\n+00013f80: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >..\n+00013ff0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n+00014040: 0a3c 6720 6964 3d22 6564 6765 3132 3322 ..<\n+00014060: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014070: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00014080: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00014090: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000140a0: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables\n+000140b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n+000141a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+000141f0: 0a3c 6720 6964 3d22 6564 6765 3131 3922 ..<\n+00014210: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014220: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00014230: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00014240: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014250: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes....<\n+00014390: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000143a0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+000143b0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+000143c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000143d0: 6770 755f 7574 696c 7320 2d2d 3e0a 3c67 gpu_utils -->..module_src_gr\n+00014410: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+00014420: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+00014430: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00014440: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+00014450: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+00014690: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+000146a0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000146b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+000146c0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec......module\n+00014870: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n+00014880: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n+00014890: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000148a0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000148b0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty...<\n+000149e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00014a30: 3c67 2069 643d 2265 6467 6531 3137 2220 .module_src_\n+00014a60: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00014a70: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00014a80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014a90: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+00014aa0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+00014c00: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00014c10: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00014c20: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00014c30: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm......module_\n+00014d90: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n+00014da0: 6172 616c 6765 6272 613c 2f74 6974 6c65 aralgebra</title\n+00014db0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n+00014dc0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00014dd0: 3d22 626c 6163 6b22 2063 783d 2235 3138 =\"black\" cx=\"518\n+00014de0: 2e35 3622 2063 793d 222d 3131 3631 2e31 .56\" cy=\"-1161.1\n+00014df0: 2220 7278 3d22 3530 2e34 3122 2072 793d \" rx=\"50.41\" ry=\n+00014e00: 2231 332e 3337 222f 3e0a 3c74 6578 7420 \"13.37\"/>.<text \n+00014e10: 7465 7874 2d61 6e63 686f 723d 226d 6964 text-anchor=\"mid\n+00014e20: 646c 6522 2078 3d22 3531 382e 3536 2220 dle\" x=\"518.56\" \n+00014e30: 793d 222d 3131 3538 2e36 2220 666f 6e74 y=\"-1158.6\" font\n+00014e40: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00014e50: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00014e60: 2e30 3022 3e6c 696e 6561 7261 6c67 6562 .00\">linearalgeb\n+00014e70: 7261 3c2f 7465 7874 3e0a 3c2f 673e 0a3c ra</text>.</g>.<\n+00014e80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014e90: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00014ea0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014eb0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00014ec0: 666f 7263 6573 202d 2d3e 0a3c 6720 6964 forces -->.<g id\n+00014ed0: 3d22 6564 6765 3134 3922 2063 6c61 7373 =\"edge149\" class\n+00014ee0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00014ef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014f00: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00014f10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00014f20: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00014f30: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es.\n+00015080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+000150f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00015160: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015170: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00015180: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015190: 6373 5f63 6f6d 7061 743c 2f74 6974 6c65 cs_compat</title\n+000151a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000151b0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+000151c0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+000151d0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000151e0: 3731 362e 3233 2c2d 3333 312e 3632 4337 716.23,-331.62C7\n+000151f0: 3238 2e31 312c 2d33 3232 2e35 3820 3734 28.11,-322.58 74\n+00015200: 352e 3035 2c2d 3330 392e 3639 2037 3538 5.05,-309.69 758\n+00015210: 2e37 312c 2d32 3939 2e33 222f 3e0a 3c70 .71,-299.3\"/>.<p\n+00015220: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00015230: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00015240: 3832 6663 6322 2070 6f69 6e74 733d 2237 82fcc\" points=\"7\n+00015250: 3630 2e38 372c 2d33 3032 2e30 3620 3736 60.87,-302.06 76\n+00015260: 362e 3731 2c2d 3239 332e 3232 2037 3536 6.71,-293.22 756\n+00015270: 2e36 332c 2d32 3936 2e34 3920 3736 302e .63,-296.49 760.\n+00015280: 3837 2c2d 3330 322e 3036 222f 3e0a 3c2f 87,-302.06\"/>.</\n+00015290: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000152a0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+000152b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000152c0: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+000152d0: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->.<g id=\"\n+000152e0: 6564 6765 3134 3122 2063 6c61 7373 3d22 edge141\" class=\"\n+000152f0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00015300: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015310: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00015320: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015330: 735f 6861 7264 7761 7265 3c2f 7469 746c s_hardware</titl\n+00015340: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00015350: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00015360: 6266 6266 2220 643d 224d 3638 362e 3835 bfbf\" d=\"M686.85\n+00015370: 2c2d 3335 352e 3836 4336 3736 2e31 342c ,-355.86C676.14,\n+00015380: 2d33 3634 2e37 3420 3636 322e 3233 2c2d -364.74 662.23,-\n+00015390: 3337 382e 3139 2036 3534 2e35 362c 2d33 378.19 654.56,-3\n+000153a0: 3933 2e32 3220 3634 312e 3637 2c2d 3431 93.22 641.67,-41\n+000153b0: 382e 3439 2036 3436 2e30 312c 2d34 3237 8.49 646.01,-427\n+000153c0: 2e38 3320 3634 332e 3536 2c2d 3435 362e .83 643.56,-456.\n+000153d0: 3039 2036 3237 2e36 352c 2d36 3339 2e33 09 627.65,-639.3\n+000153e0: 2035 3835 2e39 362c 2d37 3439 2e31 3520 585.96,-749.15 \n+000153f0: 3733 322e 3536 2c2d 3836 302e 3138 2037 732.56,-860.18 7\n+00015400: 3931 2e33 372c 2d39 3034 2e37 3220 3939 91.37,-904.72 99\n+00015410: 302c 2d38 3832 2e39 2031 3036 322e 3536 0,-882.9 1062.56\n+00015420: 2c2d 3839 362e 3138 2031 3036 352e 3535 ,-896.18 1065.55\n+00015430: 2c2d 3839 362e 3733 2031 3036 382e 3634 ,-896.73 1068.64\n+00015440: 2c2d 3839 372e 3336 2031 3037 312e 3733 ,-897.36 1071.73\n+00015450: 2c2d 3839 382e 3035 222f 3e0a 3c70 6f6c ,-898.05\"/>.<pol\n+00015460: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+00015470: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+00015480: 6662 6622 2070 6f69 6e74 733d 2231 3037 fbf\" points=\"107\n+00015490: 302e 3938 2c2d 3930 312e 3437 2031 3038 0.98,-901.47 108\n+000154a0: 312e 3532 2c2d 3930 302e 3337 2031 3037 1.52,-900.37 107\n+000154b0: 322e 362c 2d38 3934 2e36 3620 3130 3730 2.6,-894.66 1070\n+000154c0: 2e39 382c 2d39 3031 2e34 3722 2f3e 0a3c .98,-901.47\"/>.<\n+000154d0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+000154e0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+000154f0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00015500: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00015510: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00015520: 6765 3132 3622 2063 6c61 7373 3d22 6564 ge126\" class=\"ed\n+00015530: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00015540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00015550: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00015560: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015570: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......m\n+00015790: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000157a0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+000157b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000157c0: 6373 5f73 7761 703c 2f74 6974 6c65 3e0a cs_swap.\n+000157d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+00015900: 0a3c 6720 6964 3d22 6564 6765 3133 3922 ..<\n+00015920: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00015930: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00015940: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015950: 635f 6772 6f6d 6163 735f 6d69 6d69 633c c_gromacs_mimic<\n+00015960: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+00015a70: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00015a80: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00015a90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015aa0: 6772 6f6d 6163 735f 7261 6e64 6f6d 202d gromacs_random -\n+00015ab0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3134 ->.\n+00015ad0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00015ae0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00015af0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00015b00: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n+00015b10: 6f6d 3c2f 7469 746c 653e 0a3c 7061 7468 om......m\n+00015cb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015cc0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00015cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015ce0: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+00015cf0: 6d69 6373 3c2f 7469 746c 653e 0a3c 7061 mics.\n+00015da0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+00015e80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00015e90: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00015ea0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015eb0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00015ec0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modul\n+00016060: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00016070: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00016080: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00016090: 6f64 756c 6172 7369 6d75 6c61 746f 723c odularsimulator<\n+000160a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000160b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000160c0: 3d22 7265 6422 2064 3d22 4d37 3237 2e30 =\"red\" d=\"M727.0\n+000160d0: 342c 2d33 3531 2e37 3443 3737 352e 3636 4,-351.74C775.66\n+000160e0: 2c2d 3336 372e 3134 2038 3833 2e30 312c ,-367.14 883.01,\n+000160f0: 2d34 3036 2e37 3320 3936 342e 3536 2c2d -406.73 964.56,-\n+00016100: 3435 362e 3039 2031 3031 392e 3133 2c2d 456.09 1019.13,-\n+00016110: 3438 392e 3132 2031 3032 322e 3331 2c2d 489.12 1022.31,-\n+00016120: 3531 322e 3238 2031 3037 362e 3536 2c2d 512.28 1076.56,-\n+00016130: 3534 352e 3833 2031 3039 372e 3031 2c2d 545.83 1097.01,-\n+00016140: 3535 382e 3438 2031 3132 312e 3331 2c2d 558.48 1121.31,-\n+00016150: 3536 392e 3839 2031 3134 302e 3435 2c2d 569.89 1140.45,-\n+00016160: 3537 382e 3436 222f 3e0a 3c70 6f6c 7967 578.46\"/>.<polyg\n+00016170: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+00016180: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+00016190: 733d 2231 3133 392e 3131 2c2d 3538 312e s=\"1139.11,-581.\n+000161a0: 3639 2031 3134 392e 3637 2c2d 3538 322e 69 1149.67,-582.\n+000161b0: 3535 2031 3134 312e 3935 2c2d 3537 352e 55 1141.95,-575.\n+000161c0: 3239 2031 3133 392e 3131 2c2d 3538 312e 29 1139.11,-581.\n+000161d0: 3639 222f 3e0a 3c2f 673e 0a3c 212d 2d20 69\"/>.</g>.<!-- \n+000161e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000161f0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+00016200: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00016210: 6163 735f 636f 6d6d 616e 646c 696e 6520 acs_commandline \n+00016220: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00016230: 3334 2220 636c 6173 733d 2265 6467 6522 34\" class=\"edge\"\n+00016240: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00016250: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00016260: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00016270: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00016280: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+00016290: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00016350: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+000163c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00016410: 3c67 2069 643d 2265 6467 6531 3338 2220 .module_src_\n+00016440: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00016450: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00016460: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00016470: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+00016480: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016490: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000164a0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000164b0: 6179 3d22 352c 3222 2064 3d22 4d37 3033 ay=\"5,2\" d=\"M703\n+000164c0: 2e35 322c 2d33 3330 2e33 3643 3730 362e .52,-330.36C706.\n+000164d0: 3939 2c2d 3331 322e 3937 2037 3135 2e39 99,-312.97 715.9\n+000164e0: 392c 2d32 3831 2e38 3920 3733 372e 3536 9,-281.89 737.56\n+000164f0: 2c2d 3236 372e 3438 2038 3037 2e36 382c ,-267.48 807.68,\n+00016500: 2d32 3230 2e36 3320 3133 3932 2e38 2c2d -220.63 1392.8,-\n+00016510: 3231 382e 3233 2031 3538 352e 3338 2c2d 218.23 1585.38,-\n+00016520: 3231 382e 3733 222f 3e0a 3c70 6f6c 7967 218.73\"/>.....mo\n+00016610: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016620: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00016630: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016640: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00016650: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00016660: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00016670: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00016680: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00016690: 224d 3637 352e 3439 2c2d 3335 312e 3434 \"M675.49,-351.44\n+000166a0: 4336 3533 2e33 382c 2d33 3538 2e33 3720 C653.38,-358.37 \n+000166b0: 3632 322e 3336 2c2d 3337 312e 3334 2036 622.36,-371.34 6\n+000166c0: 3033 2e35 362c 2d33 3933 2e32 3220 3532 03.56,-393.22 52\n+000166d0: 322e 3732 2c2d 3438 372e 3239 2035 3339 2.72,-487.29 539\n+000166e0: 2e31 322c 2d35 3830 2e37 3220 3632 332e .12,-580.72 623.\n+000166f0: 3536 2c2d 3637 312e 3537 2036 3837 2e33 56,-671.57 687.3\n+00016700: 2c2d 3734 302e 3134 2037 3037 2e31 2c2d ,-740.14 707.1,-\n+00016710: 3735 392e 3038 2037 3932 2e35 362c 2d37 759.08 792.56,-7\n+00016720: 3937 2e33 3120 3835 342e 3132 2c2d 3832 97.31 854.12,-82\n+00016730: 342e 3835 2039 3331 2e37 2c2d 3833 362e 4.85 931.7,-836.\n+00016740: 3920 3938 302e 3938 2c2d 3834 322e 3035 9 980.98,-842.05\n+00016750: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00016760: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+00016770: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+00016780: 6e74 733d 2239 3830 2e37 362c 2d38 3435 nts=\"980.76,-845\n+00016790: 2e35 3520 3939 312e 3035 2c2d 3834 332e .55 991.05,-843.\n+000167a0: 3035 2039 3831 2e34 352c 2d38 3338 2e35 05 981.45,-838.5\n+000167b0: 3820 3938 302e 3736 2c2d 3834 352e 3535 8 980.76,-845.55\n+000167c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+000167d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000167e0: 5f72 6573 7472 6169 6e74 202d 2d3e 0a3c _restraint -->.<\n+000167f0: 6720 6964 3d22 6e6f 6465 3239 2220 636c g id=\"node29\" cl\n+00016800: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.<tit\n+00016810: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00016820: 6f6d 6163 735f 7265 7374 7261 696e 743c omacs_restraint<\n+00016830: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+00016840: 5f6e 6f64 6532 3922 3e3c 6120 786c 696e _node29\"><a xlin\n+00016850: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+00016860: 6f64 756c 655f 5f72 6573 7472 6169 6e74 odule__restraint\n+00016870: 2e78 6874 6d6c 2220 7461 7267 6574 3d22 .xhtml\" target=\"\n+00016880: 5f74 6f70 2220 786c 696e 6b3a 7469 746c _top\" xlink:titl\n+00016890: 653d 2272 6573 7472 6169 6e74 223e 0a3c e=\"restraint\">.<\n+000168a0: 656c 6c69 7073 6520 6669 6c6c 3d22 6e6f ellipse fill=\"no\n+000168b0: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+000168c0: 6b22 2063 783d 2236 3331 2e35 3622 2063 k\" cx=\"631.56\" c\n+000168d0: 793d 222d 3238 302e 3932 2220 7278 3d22 y=\"-280.92\" rx=\"\n+000168e0: 3336 2e35 3422 2072 793d 2231 332e 3337 36.54\" ry=\"13.37\n+000168f0: 222f 3e0a 3c74 6578 7420 7465 7874 2d61 \"/>.<text text-a\n+00016900: 6e63 686f 723d 226d 6964 646c 6522 2078 nchor=\"middle\" x\n+00016910: 3d22 3633 312e 3536 2220 793d 222d 3237 =\"631.56\" y=\"-27\n+00016920: 382e 3432 2220 666f 6e74 2d66 616d 696c 8.42\" font-famil\n+00016930: 793d 2246 7265 6553 616e 7322 2066 6f6e y=\"FreeSans\" fon\n+00016940: 742d 7369 7a65 3d22 3130 2e30 3022 3e72 t-size=\"10.00\">r\n+00016950: 6573 7472 6169 6e74 3c2f 7465 7874 3e0a estraint</text>.\n+00016960: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+00016970: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00016980: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00016990: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000169a0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n+000169b0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->.<g id=\"edg\n+000169c0: 6531 3435 2220 636c 6173 733d 2265 6467 e145\" class=\"edg\n+000169d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000169e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000169f0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00016a00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+00016a10: 6573 7472 6169 6e74 3c2f 7469 746c 653e estraint\n+00016a20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mod\n+00016b80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016b90: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00016ba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016bb0: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n+00016bc0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+00016d50: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00016d60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00016d70: 726f 6d61 6373 5f70 756c 6c69 6e67 3c2f romacs_pulling......module_src_gro\n+00016ef0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00016f00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00016f10: 6f6d 6163 735f 696d 643c 2f74 6974 6c65 omacs_imd...\n+00017040: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n+000170c0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+000170d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000170e0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n+000170f0: 6d65 6e74 3c2f 7469 746c 653e 0a3c 7061 ment.....\n+00017210: 3c67 2069 643d 2265 6467 6531 3330 2220 .module_src_\n+00017240: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00017250: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017260: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n+00017270: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+00017380: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00017390: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000173a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000173b0: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+000173c0: 3e0a 3c67 2069 643d 2265 6467 6531 3336 >..\n+000173e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000173f0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00017400: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00017410: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00017420: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+000175a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000175b0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+000175c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000175d0: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n+000175e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000175f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00017600: 3238 3266 6363 2220 643d 224d 3733 312e 282fcc\" d=\"M731.\n+00017610: 3136 2c2d 3334 372e 3936 4337 3530 2e38 16,-347.96C750.8\n+00017620: 362c 2d33 3530 2e35 3120 3737 362e 3833 6,-350.51 776.83\n+00017630: 2c2d 3335 342e 3135 2037 3939 2e35 362c ,-354.15 799.56,\n+00017640: 2d33 3537 2e32 3220 3931 312e 3036 2c2d -357.22 911.06,-\n+00017650: 3337 322e 3237 2031 3034 312e 3438 2c2d 372.27 1041.48,-\n+00017660: 3338 392e 3036 2031 3131 312e 3734 2c2d 389.06 1111.74,-\n+00017670: 3339 382e 3422 2f3e 0a3c 706f 6c79 676f 398.4\"/>.<polygo\n+00017680: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+00017690: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000176a0: 2220 706f 696e 7473 3d22 3131 3131 2e32 \" points=\"1111.2\n+000176b0: 392c 2d34 3031 2e38 3720 3131 3231 2e36 9,-401.87 1121.6\n+000176c0: 362c 2d33 3939 2e37 3220 3131 3132 2e32 6,-399.72 1112.2\n+000176d0: 312c 2d33 3934 2e39 3320 3131 3131 2e32 1,-394.93 1111.2\n+000176e0: 392c 2d34 3031 2e38 3722 2f3e 0a3c 2f67 9,-401.87\"/>.</g\n+000176f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00017700: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00017710: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00017720: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00017730: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+00017740: 6531 3331 2220 636c 6173 733d 2265 6467 e131\" class=\"edg\n+00017750: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00017760: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00017770: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+00017780: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00017790: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib...<\n+00017900: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+00017970: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00017980: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00017990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000179a0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+000179b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+00017a40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+00017b30: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00017b40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00017b50: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm.\n+00017be0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n+00017c50: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_\n+00017cd0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00017ce0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00017cf0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+00017d00: 6c69 6564 5f66 6f72 6365 735f 6177 683c lied_forces_awh<\n+00017d10: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00017d20: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00017d30: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00017d40: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00017d50: 2220 643d 224d 3639 372e 3735 2c2d 3335 \" d=\"M697.75,-35\n+00017d60: 372e 3338 4336 3835 2e33 312c 2d34 3031 7.38C685.31,-401\n+00017d70: 2e32 3920 3635 312e 3135 2c2d 3534 382e .29 651.15,-548.\n+00017d80: 3237 2037 3330 2e35 362c 2d36 3038 2e37 27 730.56,-608.7\n+00017d90: 2038 3137 2e39 392c 2d36 3735 2e32 3320 817.99,-675.23 \n+00017da0: 3131 3633 2e38 352c 2d37 3038 2e30 3820 1163.85,-708.08 \n+00017db0: 3132 3737 2e38 382c 2d37 3137 2e32 3622 1277.88,-717.26\"\n+00017dc0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00017dd0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00017de0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00017df0: 7473 3d22 3132 3737 2e39 332c 2d37 3230 ts=\"1277.93,-720\n+00017e00: 2e37 3720 3132 3838 2e31 382c 2d37 3138 .77 1288.18,-718\n+00017e10: 2e30 3720 3132 3738 2e34 382c 2d37 3133 .07 1278.48,-713\n+00017e20: 2e38 2031 3237 372e 3933 2c2d 3732 302e .8 1277.93,-720.\n+00017e30: 3737 222f 3e0a 3c2f 673e 0a3c 212d 2d20 77\"/>.</g>.<!-- \n+00017e40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017e50: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+00017e60: 6e63 7469 6f6e 7320 2d2d 3e0a 3c67 2069 nctions -->.<g i\n+00017e70: 643d 226e 6f64 6532 3622 2063 6c61 7373 d=\"node26\" class\n+00017e80: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+00017e90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017ea0: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+00017eb0: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a nctions.\n+00017ec0: 3c67 2069 643d 2261 5f6e 6f64 6532 3622 ..correlationfun\n+00018000: 6374 696f 6e73 3c2f 7465 7874 3e0a 3c2f ctions......module\n+000180a0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n+000180b0: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+000180c0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000180d0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+000180e0: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+000180f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n+00018330: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018340: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+00018350: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n+00018360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00018370: 6373 5f66 6674 3c2f 7469 746c 653e 0a3c cs_fft.<\n+00018380: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00018390: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000183a0: 2220 643d 224d 3234 3637 2e31 342c 2d37 \" d=\"M2467.14,-7\n+000183b0: 3037 2e35 3543 3234 3734 2e38 342c 2d36 07.55C2474.84,-6\n+000183c0: 3835 2e34 3620 3234 3839 2e35 362c 2d36 85.46 2489.56,-6\n+000183d0: 3337 2e38 3220 3234 3839 2e35 362c 2d35 37.82 2489.56,-5\n+000183e0: 3936 2e32 3720 3234 3839 2e35 362c 2d35 96.27 2489.56,-5\n+000183f0: 3936 2e32 3720 3234 3839 2e35 362c 2d35 96.27 2489.56,-5\n+00018400: 3936 2e32 3720 3234 3839 2e35 362c 2d32 96.27 2489.56,-2\n+00018410: 3739 2e39 3220 3234 3839 2e35 362c 2d32 79.92 2489.56,-2\n+00018420: 3433 2e38 3920 3234 3939 2e34 392c 2d32 43.89 2499.49,-2\n+00018430: 3033 2e30 3220 3235 3036 2e35 372c 2d31 03.02 2506.57,-1\n+00018440: 3738 2e34 3422 2f3e 0a3c 706f 6c79 676f 78.44\"/>.....module\n+00018540: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n+00018550: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+00018560: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00018570: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00018580: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......mod\n+000186e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000186f0: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n+00018700: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00018710: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n+00018720: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00018730: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00018740: 7265 6422 2064 3d22 4d31 3034 392e 322c red\" d=\"M1049.2,\n+00018750: 2d38 3538 2e35 3243 3130 3632 2e33 382c -858.52C1062.38,\n+00018760: 2d38 3637 2e32 3820 3130 3739 2e34 2c2d -867.28 1079.4,-\n+00018770: 3837 392e 3832 2031 3039 322e 3238 2c2d 879.82 1092.28,-\n+00018780: 3839 302e 3137 222f 3e0a 3c70 6f6c 7967 890.17\"/>.<polyg\n+00018790: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+000187a0: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+000187b0: 733d 2231 3039 302e 3132 2c2d 3839 322e s=\"1090.12,-892.\n+000187c0: 3933 2031 3130 302e 3036 2c2d 3839 362e 93 1100.06,-896.\n+000187d0: 3539 2031 3039 342e 3537 2c2d 3838 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3d22 2332 polygon fill=\"#2\n+00018940: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n+00018950: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n+00018960: 3839 352e 3039 2c2d 3839 352e 3232 2038 895.09,-895.22 8\n+00018970: 3836 2e37 342c 2d39 3031 2e37 3520 3839 86.74,-901.75 89\n+00018980: 372e 3334 2c2d 3930 312e 3835 2038 3935 7.34,-901.85 895\n+00018990: 2e30 392c 2d38 3935 2e32 3222 2f3e 0a3c .09,-895.22\"/>.<\n+000189a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+00018a20: 6d61 6373 5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n+00018a30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018a40: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00018a50: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_grom\n+00018ba0: 6163 735f 6d61 7468 3c2f 7469 746c 653e acs_math\n+00018bb0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..math.<\n+00018c70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00018ce0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018cf0: 735f 6770 755f 7574 696c 7326 2334 353b s_gpu_utils-\n+00018d00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018d10: 726f 6d61 6373 5f6d 6174 683c 2f74 6974 romacs_math</tit\n+00018d20: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00018d30: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00018d40: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+00018d50: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00018d60: 224d 3939 302e 3635 2c2d 3834 332e 3538 \"M990.65,-843.58\n+00018d70: 4339 3239 2e39 352c 2d38 3339 2e33 2038 C929.95,-839.3 8\n+00018d80: 3137 2e31 332c 2d38 3237 2e34 2037 3932 17.13,-827.4 792\n+00018d90: 2e35 362c 2d37 3937 2e33 3120 3738 352e .56,-797.31 785.\n+00018da0: 3031 2c2d 3738 382e 3036 2037 3838 2e31 01,-788.06 788.1\n+00018db0: 2c2d 3738 312e 3532 2037 3932 2e35 362c ,-781.52 792.56,\n+00018dc0: 2d37 3730 2e34 3420 3832 312e 3535 2c2d 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3c67 2069 643d n.\n+00019000: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..selection......\n+00019140: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019150: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+00019160: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00019170: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+00019180: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00019190: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000191a0: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+000191b0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+000191c0: 2064 3d22 4d32 3530 322e 3031 2c2d 3130 d=\"M2502.01,-10\n+000191d0: 312e 3639 4332 3439 352e 3336 2c2d 3130 1.69C2495.36,-10\n+000191e0: 332e 3333 2032 3438 382e 3235 2c2d 3130 3.33 2488.25,-10\n+000191f0: 342e 3832 2032 3438 312e 3536 2c2d 3130 4.82 2481.56,-10\n+00019200: 352e 3734 2031 3834 342e 3235 2c2d 3139 5.74 1844.25,-19\n+00019210: 332e 3431 2031 3637 352e 3136 2c2d 3832 3.41 1675.16,-82\n+00019220: 2e38 2031 3033 342e 3536 2c2d 3134 312e .8 1034.56,-141.\n+00019230: 3734 2038 3538 2e34 322c 2d31 3537 2e39 74 858.42,-157.9\n+00019240: 3520 3735 362e 3333 2c2d 3730 2e30 3120 5 756.33,-70.01 \n+00019250: 3634 312e 3536 2c2d 3230 342e 3631 2036 641.56,-204.61 6\n+00019260: 3333 2e38 312c 2d32 3133 2e37 2036 3333 33.81,-213.7 633\n+00019270: 2e32 362c 2d32 3232 2e38 3920 3634 312e .26,-222.89 641.\n+00019280: 3536 2c2d 3233 312e 3438 2036 3533 2e37 56,-231.48 653.7\n+00019290: 362c 2d32 3434 2e31 3120 3137 3732 2e35 6,-244.11 1772.5\n+000192a0: 2c2d 3237 322e 3831 2032 3031 312e 3832 ,-272.81 2011.82\n+000192b0: 2c2d 3237 382e 3822 2f3e 0a3c 706f 6c79 ,-278.8\"/>.<poly\n+000192c0: 676f 6e20 6669 6c6c 3d22 2332 6363 6332 gon fill=\"#2ccc2\n+000192d0: 3822 2073 7472 6f6b 653d 2223 3263 6363 8\" stroke=\"#2ccc\n+000192e0: 3238 2220 706f 696e 7473 3d22 3230 3131 28\" points=\"2011\n+000192f0: 2e38 322c 2d32 3832 2e33 2032 3032 312e .82,-282.3 2021.\n+00019300: 3931 2c2d 3237 392e 3036 2032 3031 322c 91,-279.06 2012,\n+00019310: 2d32 3735 2e33 3120 3230 3131 2e38 322c -275.31 2011.82,\n+00019320: 2d32 3832 2e33 222f 3e0a 3c2f 673e 0a3c -282.3\"/>.</g>.<\n+00019330: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00019340: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+00019350: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00019360: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+00019370: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->.<g id=\"e\n+00019380: 6467 6531 3539 2220 636c 6173 733d 2265 dge159\" class=\"e\n+00019390: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000193a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000193b0: 7365 6c65 6374 696f 6e26 2334 353b 2667 selection-&g\n+000193c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000193d0: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options</ti\n+000193e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000193f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00019400: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00019410: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00019420: 3d22 4d32 3530 322e 3031 2c2d 3832 2e39 =\"M2502.01,-82.9\n+00019430: 4332 3439 352e 3336 2c2d 3831 2e32 3720 C2495.36,-81.27 \n+00019440: 3234 3838 2e32 362c 2d37 392e 3738 2032 2488.26,-79.78 2\n+00019450: 3438 312e 3536 2c2d 3738 2e38 3720 3232 481.56,-78.87 22\n+00019460: 3535 2e33 382c 2d34 382e 3135 2035 3639 55.38,-48.15 569\n+00019470: 2e33 352c 2d33 332e 3139 2032 3732 2e39 .35,-33.19 272.9\n+00019480: 382c 2d33 302e 3738 222f 3e0a 3c70 6f6c 8,-30.78\"/>.<pol\n+00019490: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+000194a0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+000194b0: 6663 6322 2070 6f69 6e74 733d 2232 3732 fcc\" points=\"272\n+000194c0: 2e36 362c 2d32 372e 3238 2032 3632 2e36 .66,-27.28 262.6\n+000194d0: 332c 2d33 302e 3720 3237 322e 362c 2d33 3,-30.7 272.6,-3\n+000194e0: 342e 3238 2032 3732 2e36 362c 2d32 372e 4.28 272.66,-27.\n+000194f0: 3238 222f 3e0a 3c2f 673e 0a3c 212d 2d20 28\"/>.</g>.<!-- \n+00019500: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019510: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+00019520: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00019530: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n+00019540: 6c70 202d 2d3e 0a3c 6720 6964 3d22 6564 lp -->.<g id=\"ed\n+00019550: 6765 3135 3822 2063 6c61 7373 3d22 6564 ge158\" class=\"ed\n+00019560: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00019570: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00019580: 656c 6563 7469 6f6e 2623 3435 3b26 6774 election->\n+00019590: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000195a0: 6163 735f 6f6e 6c69 6e65 6865 6c70 3c2f acs_onlinehelp</\n+000195b0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+000195c0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000195d0: 2223 3238 3266 6363 2220 643d 224d 3235 \"#282fcc\" d=\"M25\n+000195e0: 3031 2e31 372c 2d38 332e 3134 4332 3439 01.17,-83.14C249\n+000195f0: 342e 3734 2c2d 3831 2e35 3620 3234 3837 4.74,-81.56 2487\n+00019600: 2e39 352c 2d38 302e 3033 2032 3438 312e .95,-80.03 2481.\n+00019610: 3536 2c2d 3738 2e38 3720 3233 3432 2e37 56,-78.87 2342.7\n+00019620: 372c 2d35 332e 3731 2032 3137 362e 3732 7,-53.71 2176.72\n+00019630: 2c2d 3339 2e36 3720 3230 3934 2e36 352c ,-39.67 2094.65,\n+00019640: 2d33 332e 3738 222f 3e0a 3c70 6f6c 7967 -33.78\"/>.<polyg\n+00019650: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00019660: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+00019670: 6322 2070 6f69 6e74 733d 2232 3039 342e c\" points=\"2094.\n+00019680: 3831 2c2d 3330 2e32 3820 3230 3834 2e35 81,-30.28 2084.5\n+00019690: 392c 2d33 332e 3037 2032 3039 342e 3332 9,-33.07 2094.32\n+000196a0: 2c2d 3337 2e32 3720 3230 3934 2e38 312c ,-37.27 2094.81,\n+000196b0: 2d33 302e 3238 222f 3e0a 3c2f 673e 0a3c -30.28\"/>.</g>.<\n+000196c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000196d0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+000196e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000196f0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00019700: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n+00019710: 6467 6531 3631 2220 636c 6173 733d 2265 dge161\" class=\"e\n+00019720: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00019730: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019740: 7265 7374 7261 696e 7426 2334 353b 2667 restraint-&g\n+00019750: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019760: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+00019770: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00019780: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00019790: 6266 6266 6266 2220 643d 224d 3632 352e bfbfbf\" d=\"M625.\n+000197a0: 3638 2c2d 3239 342e 3434 4336 3136 2e31 68,-294.44C616.1\n+000197b0: 392c 2d33 3134 2e38 3620 3539 372e 3139 9,-314.86 597.19\n+000197c0: 2c2d 3335 362e 3735 2035 3833 2e35 362c ,-356.75 583.56,\n+000197d0: 2d33 3933 2e32 3220 3535 302e 3034 2c2d -393.22 550.04,-\n+000197e0: 3438 322e 3933 2035 3339 2e30 322c 2d35 482.93 539.02,-5\n+000197f0: 3233 2e39 3220 3538 332e 3536 2c2d 3630 23.92 583.56,-60\n+00019800: 382e 3720 3632 312e 3234 2c2d 3638 302e 8.7 621.24,-680.\n+00019810: 3433 2036 3434 2e31 322c 2d36 3936 2e32 43 644.12,-696.2\n+00019820: 3120 3731 352e 3536 2c2d 3733 342e 3434 1 715.56,-734.44\n+00019830: 2037 3638 2e37 372c 2d37 3632 2e39 3120 768.77,-762.91 \n+00019840: 3833 382e 3032 2c2d 3737 342e 3639 2038 838.02,-774.69 8\n+00019850: 3833 2e33 352c 2d37 3739 2e35 3322 2f3e 83.35,-779.53\"/>\n+00019860: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00019870: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00019880: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00019890: 3d22 3838 332e 3139 2c2d 3738 332e 3033 =\"883.19,-783.03\n+000198a0: 2038 3933 2e34 392c 2d37 3830 2e35 3420 893.49,-780.54 \n+000198b0: 3838 332e 3838 2c2d 3737 362e 3037 2038 883.88,-776.07 8\n+000198c0: 3833 2e31 392c 2d37 3833 2e30 3322 2f3e 83.19,-783.03\"/>\n+000198d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000198e0: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+000198f0: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n+00019900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019910: 6373 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 cs_domdec -->.<g\n+00019920: 2069 643d 2265 6467 6531 3632 2220 636c id=\"edge162\" cl\n+00019930: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00019940: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00019950: 6f6d 6163 735f 7265 7374 7261 696e 7426 omacs_restraint&\n+00019960: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00019970: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00019980: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c.....\n+00019af0: 3c67 2069 643d 2265 6467 6531 3633 2220 .module_src_\n+00019b20: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n+00019b30: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00019b40: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00019b50: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...\n+00019c60: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00019cd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019ce0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+00019cf0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00019d00: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+00019d10: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00019d20: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00019d30: 6266 6266 2220 643d 224d 3132 3235 2e38 bfbf\" d=\"M1225.8\n+00019d40: 352c 2d32 3933 2e39 3943 3132 3536 2e39 5,-293.99C1256.9\n+00019d50: 362c 2d33 3334 2e37 3820 3133 3536 2e32 6,-334.78 1356.2\n+00019d60: 372c 2d34 3637 2e37 3420 3133 3638 2e35 7,-467.74 1368.5\n+00019d70: 362c 2d35 3138 2e39 3620 3133 3737 2e39 6,-518.96 1377.9\n+00019d80: 372c 2d35 3538 2e32 3120 3133 3639 2e38 7,-558.21 1369.8\n+00019d90: 2c2d 3537 312e 3332 2031 3335 342e 3536 ,-571.32 1354.56\n+00019da0: 2c2d 3630 382e 3720 3133 3432 2e31 342c ,-608.7 1342.14,\n+00019db0: 2d36 3339 2e31 3520 3133 3336 2e31 362c -639.15 1336.16,\n+00019dc0: 2d36 3435 2e39 3420 3133 3135 2e35 362c -645.94 1315.56,\n+00019dd0: 2d36 3731 2e35 3720 3133 3031 2e31 382c -671.57 1301.18,\n+00019de0: 2d36 3839 2e34 3520 3132 3930 2e35 392c -689.45 1290.59,\n+00019df0: 2d36 3838 2e30 3320 3132 3738 2e35 362c -688.03 1278.56,\n+00019e00: 2d37 3037 2e35 3720 3132 3431 2e32 382c -707.57 1241.28,\n+00019e10: 2d37 3638 2e31 3220 3132 3637 2e34 362c -768.12 1267.46,\n+00019e20: 2d37 3939 2e34 2031 3233 302e 3536 2c2d -799.4 1230.56,-\n+00019e30: 3836 302e 3138 2031 3231 302e 3033 2c2d 860.18 1210.03,-\n+00019e40: 3839 3420 3132 3033 2e30 372c 2d39 3035 894 1203.07,-905\n+00019e50: 2e36 3220 3131 3637 2e35 362c 2d39 3233 .62 1167.56,-923\n+00019e60: 2e30 3520 3131 3038 2e37 392c 2d39 3531 .05 1108.79,-951\n+00019e70: 2e39 3120 3931 332e 3934 2c2d 3936 352e .91 913.94,-965.\n+00019e80: 3220 3833 302e 3735 2c2d 3936 392e 3636 2 830.75,-969.66\n+00019e90: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+00019ea0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+00019eb0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+00019ec0: 6e74 733d 2238 3330 2e35 312c 2d39 3636 nts=\"830.51,-966\n+00019ed0: 2e31 3720 3832 302e 372c 2d39 3730 2e31 .17 820.7,-970.1\n+00019ee0: 3920 3833 302e 3837 2c2d 3937 332e 3136 9 830.87,-973.16\n+00019ef0: 2038 3330 2e35 312c 2d39 3636 2e31 3722 830.51,-966.17\"\n+00019f00: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00019f10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019f20: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+00019f30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019f40: 6373 5f6d 6474 7970 6573 202d 2d3e 0a3c cs_mdtypes -->.<\n+00019f50: 6720 6964 3d22 6564 6765 3136 3522 2063 g id=\"edge165\" c\n+00019f60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00019f70: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00019f80: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00019f90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00019fa0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00019fb0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s.\n+0001a080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+0001a170: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+0001a180: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a190: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0001a1a0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine.....\n+0001a330: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0001a340: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0001a350: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0001a360: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001a370: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec....\n+0001a470: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_grom\n+0001a4f0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+0001a500: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001a510: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0001a520: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...\n+0001a620: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+0001a690: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a6a0: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+0001a6b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001a6c0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n+0001a6d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001a6e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001a6f0: 6266 6266 6266 2220 643d 224d 3132 3130 bfbfbf\" d=\"M1210\n+0001a700: 2e34 352c 2d32 3637 2e36 3543 3132 3031 .45,-267.65C1201\n+0001a710: 2e39 342c 2d32 3531 2e35 3720 3131 3835 .94,-251.57 1185\n+0001a720: 2e32 332c 2d32 3233 2e32 2031 3136 342e .23,-223.2 1164.\n+0001a730: 3536 2c2d 3230 342e 3631 2031 3134 372e 56,-204.61 1147.\n+0001a740: 3738 2c2d 3138 392e 3532 2031 3132 352e 78,-189.52 1125.\n+0001a750: 3438 2c2d 3137 372e 3420 3131 3037 2e34 48,-177.4 1107.4\n+0001a760: 2c2d 3136 392e 3035 222f 3e0a 3c70 6f6c ,-169.05\"/>.<pol\n+0001a770: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+0001a780: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+0001a790: 6662 6622 2070 6f69 6e74 733d 2231 3130 fbf\" points=\"110\n+0001a7a0: 382e 3431 2c2d 3136 352e 3637 2031 3039 8.41,-165.67 109\n+0001a7b0: 372e 3835 2c2d 3136 342e 3831 2031 3130 7.85,-164.81 110\n+0001a7c0: 352e 3536 2c2d 3137 322e 3037 2031 3130 5.56,-172.07 110\n+0001a7d0: 382e 3431 2c2d 3136 352e 3637 222f 3e0a 8.41,-165.67\"/>.\n+0001a7e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001a7f0: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n+0001a800: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n+0001a810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a820: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n+0001a830: 3d22 6564 6765 3136 3722 2063 6c61 7373 =\"edge167\" class\n+0001a840: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001a850: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a860: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+0001a870: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001a880: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+0001a890: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001a8a0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001a8b0: 6266 6266 6266 2220 643d 224d 3132 3233 bfbfbf\" d=\"M1223\n+0001a8c0: 2e30 362c 2d32 3934 2e31 3943 3132 3238 .06,-294.19C1228\n+0001a8d0: 2e31 392c 2d33 3033 2e39 3420 3132 3335 .19,-303.94 1235\n+0001a8e0: 2e34 362c 2d33 3137 2e39 3520 3132 3431 .46,-317.95 1241\n+0001a8f0: 2e35 362c 2d33 3330 2e33 3520 3132 3631 .56,-330.35 1261\n+0001a900: 2c2d 3336 392e 3837 2031 3235 372e 3739 ,-369.87 1257.79\n+0001a910: 2c2d 3338 342e 3338 2031 3238 332e 3536 ,-384.38 1283.56\n+0001a920: 2c2d 3432 302e 3039 2031 3239 372e 3137 ,-420.09 1297.17\n+0001a930: 2c2d 3433 382e 3936 2031 3330 372e 3138 ,-438.96 1307.18\n+0001a940: 2c2d 3433 372e 3820 3133 3231 2e35 362c ,-437.8 1321.56,\n+0001a950: 2d34 3536 2e30 3920 3133 3431 2e34 362c -456.09 1341.46,\n+0001a960: 2d34 3831 2e34 2031 3334 392e 3238 2c2d -481.4 1349.28,-\n+0001a970: 3438 372e 3834 2031 3335 372e 3536 2c2d 487.84 1357.56,-\n+0001a980: 3531 382e 3936 2031 3337 302e 3133 2c2d 518.96 1370.13,-\n+0001a990: 3536 362e 3231 2031 3332 372e 3738 2c2d 566.21 1327.78,-\n+0001a9a0: 3631 342e 3336 2031 3330 302e 3632 2c2d 614.36 1300.62,-\n+0001a9b0: 3633 392e 3435 222f 3e0a 3c70 6f6c 7967 639.45\"/>.<polyg\n+0001a9c0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+0001a9d0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+0001a9e0: 6622 2070 6f69 6e74 733d 2231 3239 382e f\" points=\"1298.\n+0001a9f0: 3231 2c2d 3633 362e 3931 2031 3239 332e 21,-636.91 1293.\n+0001aa00: 3039 2c2d 3634 362e 3138 2031 3330 322e 09,-646.18 1302.\n+0001aa10: 3838 2c2d 3634 322e 3133 2031 3239 382e 88,-642.13 1298.\n+0001aa20: 3231 2c2d 3633 362e 3931 222f 3e0a 3c2f 21,-636.91\"/>.</\n+0001aa30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001aa40: 7263 5f67 726f 6d61 6373 5f66 6674 2623 rc_gromacs_fft&#\n+0001aa50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001aa60: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+0001aa70: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->.<g id=\"e\n+0001aa80: 6467 6531 3731 2220 636c 6173 733d 2265 dge171\" class=\"e\n+0001aa90: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001aaa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001aab0: 6666 7426 2334 353b 2667 743b 6d6f 6475 fft->modu\n+0001aac0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001aad0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+0001aae0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0001abc0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+0001aec0: 6720 6964 3d22 6564 6765 3137 3522 2063 g id=\"edge175\" c\n+0001aed0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001aef0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0001af00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001af10: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib..\n+0001af90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+0001b000: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+0001b070: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b080: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0001b090: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001b0a0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random</titl\n+0001b0b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001b0c0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n+0001b0d0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n+0001b0e0: 7272 6179 3d22 352c 3222 2064 3d22 4d31 rray=\"5,2\" d=\"M1\n+0001b0f0: 3636 322e 3031 2c2d 3130 3334 2e39 3543 662.01,-1034.95C\n+0001b100: 3137 3934 2e34 342c 2d31 3033 362e 3234 1794.44,-1036.24\n+0001b110: 2032 3235 322e 3536 2c2d 3130 3331 2e39 2252.56,-1031.9\n+0001b120: 3220 3232 3532 2e35 362c 2d39 3130 2e36 2 2252.56,-910.6\n+0001b130: 3220 3232 3532 2e35 362c 2d39 3130 2e36 2 2252.56,-910.6\n+0001b140: 3220 3232 3532 2e35 362c 2d39 3130 2e36 2 2252.56,-910.6\n+0001b150: 3220 3232 3532 2e35 362c 2d37 3832 2e38 2 2252.56,-782.8\n+0001b160: 3820 3232 3532 2e35 362c 2d36 3833 2e32 8 2252.56,-683.2\n+0001b170: 3820 3231 3630 2e30 342c 2d36 3935 2e37 8 2160.04,-695.7\n+0001b180: 2032 3131 312e 3536 2c2d 3630 382e 3720 2111.56,-608.7 \n+0001b190: 3230 3934 2e39 352c 2d35 3738 2e38 3920 2094.95,-578.89 \n+0001b1a0: 3230 3936 2e35 362c 2d35 3637 2e35 3220 2096.56,-567.52 \n+0001b1b0: 3230 3936 2e35 362c 2d35 3333 2e34 2032 2096.56,-533.4 2\n+0001b1c0: 3039 362e 3536 2c2d 3533 332e 3420 3230 096.56,-533.4 20\n+0001b1d0: 3936 2e35 362c 2d35 3333 2e34 2032 3039 96.56,-533.4 209\n+0001b1e0: 362e 3536 2c2d 3430 352e 3636 2032 3039 6.56,-405.66 209\n+0001b1f0: 362e 3536 2c2d 3337 312e 3533 2032 3039 6.56,-371.53 209\n+0001b200: 322e 3833 2c2d 3336 322e 3536 2032 3038 2.83,-362.56 208\n+0001b210: 312e 3536 2c2d 3333 302e 3335 2032 3037 1.56,-330.35 207\n+0001b220: 382e 3333 2c2d 3332 312e 3131 2032 3037 8.33,-321.11 207\n+0001b230: 332e 3632 2c2d 3331 312e 3432 2032 3036 3.62,-311.42 206\n+0001b240: 392e 3136 2c2d 3330 332e 3136 222f 3e0a 9.16,-303.16\"/>.\n+0001b250: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n+0001b260: 6c61 636b 2220 7374 726f 6b65 3d22 626c lack\" stroke=\"bl\n+0001b270: 6163 6b22 2070 6f69 6e74 733d 2232 3037 ack\" points=\"207\n+0001b280: 322e 3039 2c2d 3330 312e 3233 2032 3036 2.09,-301.23 206\n+0001b290: 342e 3134 2c2d 3239 342e 3233 2032 3036 4.14,-294.23 206\n+0001b2a0: 352e 3939 2c2d 3330 342e 3636 2032 3037 5.99,-304.66 207\n+0001b2b0: 322e 3039 2c2d 3330 312e 3233 222f 3e0a 2.09,-301.23\"/>.\n+0001b2c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001b2d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001b2e0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0001b2f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001b300: 6474 7970 6573 202d 2d3e 0a3c 6720 6964 dtypes -->.<g id\n+0001b310: 3d22 6564 6765 3138 3122 2063 6c61 7373 =\"edge181\" class\n+0001b320: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001b330: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b340: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n+0001b350: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001b360: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+0001b370: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001b380: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001b390: 6266 6266 6266 2220 643d 224d 3135 3931 bfbfbf\" d=\"M1591\n+0001b3a0: 2e35 2c2d 3130 3332 2e38 3543 3134 3730 .5,-1032.85C1470\n+0001b3b0: 2e38 322c 2d31 3032 372e 3031 2031 3037 .82,-1027.01 107\n+0001b3c0: 342e 392c 2d31 3030 322e 3035 2039 3830 4.9,-1002.05 980\n+0001b3d0: 2e35 362c 2d39 3233 2e30 3520 3934 352e .56,-923.05 945.\n+0001b3e0: 3839 2c2d 3839 342e 3032 2039 3335 2e32 89,-894.02 935.2\n+0001b3f0: 362c 2d38 3338 2e39 3620 3933 322c 2d38 6,-838.96 932,-8\n+0001b400: 3037 2e38 3222 2f3e 0a3c 706f 6c79 676f 07.82\"/>.<polygo\n+0001b410: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0001b420: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001b430: 2220 706f 696e 7473 3d22 3933 352e 3436 \" points=\"935.46\n+0001b440: 2c2d 3830 372e 3139 2039 3331 2e31 2c2d ,-807.19 931.1,-\n+0001b450: 3739 372e 3533 2039 3238 2e34 392c 2d38 797.53 928.49,-8\n+0001b460: 3037 2e37 3920 3933 352e 3436 2c2d 3830 07.79 935.46,-80\n+0001b470: 372e 3139 222f 3e0a 3c2f 673e 0a3c 212d 7.19\"/>.</g>.<!-\n+0001b480: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001b490: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0001b4a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001b4b0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0001b4c0: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n+0001b4d0: 6765 3137 3222 2063 6c61 7373 3d22 6564 ge172\" class=\"ed\n+0001b4e0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0001b4f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001b500: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+0001b510: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b520: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n+0001b530: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001b540: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+0001b550: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+0001b560: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001b570: 4d31 3636 312e 3336 2c2d 3130 3332 2e38 M1661.36,-1032.8\n+0001b580: 3143 3138 3137 2e31 312c 2d31 3032 352e 1C1817.11,-1025.\n+0001b590: 3435 2032 3434 322e 3536 2c2d 3939 302e 45 2442.56,-990.\n+0001b5a0: 3920 3234 3432 2e35 362c 2d39 3130 2e36 9 2442.56,-910.6\n+0001b5b0: 3220 3234 3432 2e35 362c 2d39 3130 2e36 2 2442.56,-910.6\n+0001b5c0: 3220 3234 3432 2e35 362c 2d39 3130 2e36 2 2442.56,-910.6\n+0001b5d0: 3220 3234 3432 2e35 362c 2d38 3435 2e37 2 2442.56,-845.7\n+0001b5e0: 3520 3234 3432 2e35 362c 2d37 3839 2e35 5 2442.56,-789.5\n+0001b5f0: 3520 3233 3939 2e32 382c 2d37 3838 2e30 5 2399.28,-788.0\n+0001b600: 3920 3233 3832 2e35 362c 2d37 3334 2e34 9 2382.56,-734.4\n+0001b610: 3420 3233 3731 2e36 392c 2d36 3939 2e35 4 2371.69,-699.5\n+0001b620: 3720 3233 3436 2e35 362c 2d34 3434 2e31 7 2346.56,-444.1\n+0001b630: 3820 3233 3436 2e35 362c 2d34 3037 2e36 8 2346.56,-407.6\n+0001b640: 3620 3233 3436 2e35 362c 2d34 3037 2e36 6 2346.56,-407.6\n+0001b650: 3620 3233 3436 2e35 362c 2d34 3037 2e36 6 2346.56,-407.6\n+0001b660: 3620 3233 3436 2e35 362c 2d33 3432 2e37 6 2346.56,-342.7\n+0001b670: 3920 3233 3436 2e35 362c 2d33 3035 2e38 9 2346.56,-305.8\n+0001b680: 3820 3233 3339 2e36 312c 2d32 3931 2e34 8 2339.61,-291.4\n+0001b690: 3720 3233 3131 2e35 362c 2d32 3637 2e34 7 2311.56,-267.4\n+0001b6a0: 3820 3231 3537 2e36 362c 2d31 3335 2e38 8 2157.66,-135.8\n+0001b6b0: 3320 3230 3731 2e34 2c2d 3138 352e 3037 3 2071.4,-185.07\n+0001b6c0: 2031 3837 332e 3536 2c2d 3134 312e 3734 1873.56,-141.74\n+0001b6d0: 2031 3738 332e 3431 2c2d 3132 3220 3136 1783.41,-122 16\n+0001b6e0: 3737 2e30 392c 2d31 3037 2e35 3120 3136 77.09,-107.51 16\n+0001b6f0: 3133 2e33 342c 2d39 392e 3736 222f 3e0a 13.34,-99.76\"/>.\n+0001b700: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n+0001b710: 6c61 636b 2220 7374 726f 6b65 3d22 626c lack\" stroke=\"bl\n+0001b720: 6163 6b22 2070 6f69 6e74 733d 2231 3631 ack\" points=\"161\n+0001b730: 332e 3435 2c2d 3936 2e32 3420 3136 3033 3.45,-96.24 1603\n+0001b740: 2e31 2c2d 3938 2e35 3220 3136 3132 2e36 .1,-98.52 1612.6\n+0001b750: 312c 2d31 3033 2e31 3920 3136 3133 2e34 1,-103.19 1613.4\n+0001b760: 352c 2d39 362e 3234 222f 3e0a 3c2f 673e 5,-96.24\"/>.</g>\n+0001b770: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001b780: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0001b790: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001b7a0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+0001b7b0: 645f 666f 7263 6573 202d 2d3e 0a3c 6720 d_forces -->.<g \n+0001b7c0: 6964 3d22 6564 6765 3137 3822 2063 6c61 id=\"edge178\" cla\n+0001b7d0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001b7e0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001b7f0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0001b800: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001b810: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+0001b820: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces.....<\n+0001ba60: 6720 6964 3d22 6564 6765 3137 3722 2063 g id=\"edge177\" c\n 0001ba70: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001ba90: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+0001ba90: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n 0001baa0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001bab0: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n-0001bac0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n-0001bbf0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-0001bce0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-0001bcf0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001bd00: 726f 6d61 6373 5f6d 6472 756e 3c2f 7469 romacs_mdrun......\n-0001be70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0001be80: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-0001be90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001bea0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-0001beb0: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d..\n-0001bf20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ..\n-0001bf90: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n-0001c000: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-0001c010: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-0001c020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c030: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n-0001c040: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c050: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001c060: 6662 6622 2064 3d22 4d31 3537 342e 3432 fbf\" d=\"M1574.42\n-0001c070: 2c2d 3834 352e 3034 4331 3735 302e 3332 ,-845.04C1750.32\n-0001c080: 2c2d 3834 312e 3134 2032 3531 332e 3536 ,-841.14 2513.56\n-0001c090: 2c2d 3831 382e 3632 2032 3531 332e 3536 ,-818.62 2513.56\n-0001c0a0: 2c2d 3732 322e 3031 2032 3531 332e 3536 ,-722.01 2513.56\n-0001c0b0: 2c2d 3732 322e 3031 2032 3531 332e 3536 ,-722.01 2513.56\n-0001c0c0: 2c2d 3732 322e 3031 2032 3531 332e 3536 ,-722.01 2513.56\n-0001c0d0: 2c2d 3635 372e 3134 2032 3531 332e 3536 ,-657.14 2513.56\n-0001c0e0: 2c2d 3536 312e 3336 2032 3436 392e 3738 ,-561.36 2469.78\n-0001c0f0: 2c2d 3236 332e 3636 2032 3435 372e 3031 ,-263.66 2457.01\n-0001c100: 2c2d 3137 382e 3922 2f3e 0a3c 706f 6c79 ,-178.9\"/>.<poly\n-0001c110: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n-0001c120: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n-0001c130: 6266 2220 706f 696e 7473 3d22 3234 3630 bf\" points=\"2460\n-0001c140: 2e34 342c 2d31 3738 2e31 3820 3234 3535 .44,-178.18 2455\n-0001c150: 2e34 392c 2d31 3638 2e38 3120 3234 3533 .49,-168.81 2453\n-0001c160: 2e35 322c 2d31 3739 2e32 3220 3234 3630 .52,-179.22 2460\n-0001c170: 2e34 342c 2d31 3738 2e31 3822 2f3e 0a3c .44,-178.18\"/>.<\n-0001c180: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0001c190: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001c1a0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-0001c1b0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-0001c1c0: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069 u_utils -->.<g i\n-0001c1d0: 643d 2265 6467 6531 3835 2220 636c 6173 d=\"edge185\" clas\n-0001c1e0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001c1f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001c200: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-0001c210: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c220: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-0001c230: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001c240: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001c250: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-0001c260: 3535 372e 362c 2d38 3538 2e33 3143 3135 557.6,-858.31C15\n-0001c270: 3835 2e37 332c 2d38 3733 2e36 3720 3136 85.73,-873.67 16\n-0001c280: 3430 2e32 362c 2d39 3032 2e35 3920 3136 40.26,-902.59 16\n-0001c290: 3838 2e35 362c 2d39 3233 2e30 3520 3137 88.56,-923.05 17\n-0001c2a0: 3636 2e35 392c 2d39 3536 2e31 2031 3738 66.59,-956.1 178\n-0001c2b0: 362e 312c 2d39 3636 2e33 3920 3138 3638 6.1,-966.39 1868\n-0001c2c0: 2e35 362c 2d39 3835 2e39 3220 3139 3833 .56,-985.92 1983\n-0001c2d0: 2e30 332c 2d31 3031 332e 3033 2032 3132 .03,-1013.03 212\n-0001c2e0: 312e 3039 2c2d 3130 3235 2e39 3720 3231 1.09,-1025.97 21\n-0001c2f0: 3932 2e38 372c 2d31 3033 312e 3236 222f 92.87,-1031.26\"/\n-0001c300: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-0001c310: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-0001c320: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-0001c330: 733d 2232 3139 322e 3734 2c2d 3130 3334 s=\"2192.74,-1034\n-0001c340: 2e37 3620 3232 3032 2e39 362c 2d31 3033 .76 2202.96,-103\n-0001c350: 312e 3939 2032 3139 332e 3234 2c2d 3130 1.99 2193.24,-10\n-0001c360: 3237 2e37 3820 3231 3932 2e37 342c 2d31 27.78 2192.74,-1\n-0001c370: 3033 342e 3736 222f 3e0a 3c2f 673e 0a3c 034.76\"/>.</g>.<\n-0001c380: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001c390: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001c3a0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c3b0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0001c3c0: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->.<g id=\n-0001c3d0: 2265 6467 6531 3832 2220 636c 6173 733d \"edge182\" class=\n-0001c3e0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001c3f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c400: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001c410: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c420: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-0001c430: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-0001c590: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001c5a0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001c5b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c5c0: 5f67 726f 6d61 6373 5f6d 646c 6962 202d _gromacs_mdlib -\n-0001c5d0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3138 ->.\n-0001c5f0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0001c600: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001c610: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-0001c620: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0001c630: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.\n-0001c6d0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-0001c790: 6720 6964 3d22 6564 6765 3137 3922 2063 g id=\"edge179\" c\n-0001c7a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001c7c0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-0001c7d0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c7e0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n-0001c7f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n-0001c910: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-0001c980: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n-0001c9f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ca00: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-0001ca10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001ca20: 6373 5f6e 626e 786d 3c2f 7469 746c 653e cs_nbnxm\n-0001ca30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-0001cb10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n-0001cbd0: 3c67 2069 643d 2265 6467 6531 3833 2220 .module_src_\n-0001cc00: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-0001cc10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001cc20: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0001cc30: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n-0001ccd0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n-0001cdb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001cdc0: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001cdd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001cde0: 6163 735f 696d 643c 2f74 6974 6c65 3e0a acs_imd.\n-0001cdf0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-0001cf80: 3c67 2069 643d 2265 6467 6531 3839 2220 .module_src_\n-0001cfb0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-0001cfc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001cfd0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-0001cfe0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-0001d1b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-0001d200: 0a3c 6720 6964 3d22 6564 6765 3138 3822 ..<\n-0001d220: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001d230: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-0001d240: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001d250: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-0001d260: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n-0001d270: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-0001d380: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-0001d440: 6720 6964 3d22 6564 6765 3139 3222 2063 g id=\"edge192\" c\n-0001d450: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001d470: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n-0001d480: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001d490: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n-0001d4a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n-0001d5a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n-0001d610: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001d620: 6162 6c65 7326 2334 353b 2667 743b 6d6f ables->mo\n-0001d630: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d640: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-0001d650: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0001d850: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-0001d8c0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001d8d0: 626c 6573 2623 3435 3b26 6774 3b6d 6f64 bles->mod\n-0001d8e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001d8f0: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-0001d900: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001d910: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001d920: 2220 643d 224d 3135 3635 2e38 322c 2d32 \" d=\"M1565.82,-2\n-0001d930: 3239 2e30 3543 3135 3335 2e39 342c 2d32 29.05C1535.94,-2\n-0001d940: 3435 2e39 3620 3134 3737 2e36 332c 2d32 45.96 1477.63,-2\n-0001d950: 3833 2031 3434 352e 3536 2c2d 3333 302e 83 1445.56,-330.\n-0001d960: 3335 2031 3432 312e 3132 2c2d 3336 362e 35 1421.12,-366.\n-0001d970: 3433 2031 3431 302e 3531 2c2d 3431 372e 43 1410.51,-417.\n-0001d980: 3220 3134 3036 2e32 312c 2d34 3436 2e30 2 1406.21,-446.0\n-0001d990: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669 9\"/>.....modul\n-0001da80: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n-0001da90: 7374 7261 696e 7426 2334 353b 2667 743b straint->\n-0001daa0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001dab0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-0001dac0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001dad0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001dae0: 6662 6622 2064 3d22 4d36 3931 2e35 372c fbf\" d=\"M691.57,\n-0001daf0: 2d37 3037 2e39 4336 3736 2e30 372c 2d36 -707.9C676.07,-6\n-0001db00: 3838 2e33 3820 3634 362e 3534 2c2d 3634 88.38 646.54,-64\n-0001db10: 382e 3133 2036 3332 2e35 362c 2d36 3038 8.13 632.56,-608\n-0001db20: 2e37 2036 3039 2e38 362c 2d35 3434 2e36 .7 609.86,-544.6\n-0001db30: 3920 3631 332e 3636 2c2d 3532 332e 3133 9 613.66,-523.13\n-0001db40: 2036 3234 2e35 362c 2d34 3536 2e30 3920 624.56,-456.09 \n-0001db50: 3634 342e 3134 2c2d 3333 352e 3638 2036 644.14,-335.68 6\n-0001db60: 3437 2e36 332c 2d32 3930 2e32 2037 3334 47.63,-290.2 734\n-0001db70: 2e35 362c 2d32 3034 2e36 3120 3734 382e .56,-204.61 748.\n-0001db80: 3139 2c2d 3139 312e 3139 2037 3636 2e31 19,-191.19 766.1\n-0001db90: 2c2d 3137 392e 3436 2037 3831 2e30 312c ,-179.46 781.01,\n-0001dba0: 2d31 3730 2e39 222f 3e0a 3c70 6f6c 7967 -170.9\"/>.<polyg\n-0001dbb0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0001dbc0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0001dbd0: 6622 2070 6f69 6e74 733d 2237 3832 2e37 f\" points=\"782.7\n-0001dbe0: 392c 2d31 3733 2e39 3120 3738 392e 3833 9,-173.91 789.83\n-0001dbf0: 2c2d 3136 352e 3939 2037 3739 2e33 392c ,-165.99 779.39,\n-0001dc00: 2d31 3637 2e37 3920 3738 322e 3739 2c2d -167.79 782.79,-\n-0001dc10: 3137 332e 3931 222f 3e0a 3c2f 673e 0a3c 173.91\"/>.</g>.<\n-0001dc20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001dc30: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n-0001dc40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001dc50: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0001dc60: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n-0001dc70: 6467 6531 3936 2220 636c 6173 733d 2265 dge196\" class=\"e\n-0001dc80: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001dc90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001dca0: 7265 7374 7261 696e 7426 2334 353b 2667 restraint-&g\n-0001dcb0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001dcc0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n-0001dcd0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001dce0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001dcf0: 6266 6266 6266 2220 643d 224d 3730 312e bfbfbf\" d=\"M701.\n-0001dd00: 3339 2c2d 3733 342e 3731 4337 3031 2e38 39,-734.71C701.8\n-0001dd10: 372c 2d37 3531 2e32 3920 3730 352e 3231 7,-751.29 705.21\n-0001dd20: 2c2d 3738 302e 3139 2037 3231 2e35 362c ,-780.19 721.56,\n-0001dd30: 2d37 3937 2e33 3120 3832 322e 332c 2d39 -797.31 822.3,-9\n-0001dd40: 3032 2e38 3320 3930 302e 3136 2c2d 3833 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2d39 3732 2e38 3122 2f3e 0a3c 2f67 3e0a -972.81\"/>.</g>.\n-0001de40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001de50: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-0001de60: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-0001de70: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-0001de80: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n-0001de90: 6467 6531 3934 2220 636c 6173 733d 2265 dge194\" class=\"e\n-0001dea0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001deb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001dec0: 7265 7374 7261 696e 7426 2334 353b 2667 restraint-&g\n-0001ded0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001dee0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec</tit\n-0001def0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001df00: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001df10: 3832 6663 6322 2073 7472 6f6b 652d 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14\n-0001e000: 3932 2e36 332c 2d38 3438 2e37 3622 2f3e 92.63,-848.76\"/>\n-0001e010: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001e020: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-0001e030: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-0001e040: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e050: 5f63 6f6d 7061 7420 2d2d 3e0a 3c67 2069 _compat -->.<g i\n-0001e060: 643d 2265 6467 6531 3938 2220 636c 6173 d=\"edge198\" clas\n-0001e070: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001e080: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001e090: 6163 735f 7574 696c 6974 7926 2334 353b acs_utility-\n-0001e0a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e0b0: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74 romacs_compat</t\n-0001e0c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001e0d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001e0e0: 2332 3832 6663 6322 2064 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2\n-0001e1d0: 3237 332e 3331 2c2d 3532 392e 3131 2032 273.31,-529.11 2\n-0001e1e0: 3235 382e 3536 2c2d 3531 382e 3936 2032 258.56,-518.96 2\n-0001e1f0: 3232 392e 3734 2c2d 3439 392e 3133 2032 229.74,-499.13 2\n-0001e200: 3231 352e 3536 2c2d 3530 352e 3220 3231 215.56,-505.2 21\n-0001e210: 3838 2e35 362c 2d34 3832 2e39 3620 3231 88.56,-482.96 21\n-0001e220: 3636 2e34 382c 2d34 3634 2e37 3720 3231 66.48,-464.77 21\n-0001e230: 3138 2e33 382c 2d33 3939 2e32 3620 3230 18.38,-399.26 20\n-0001e240: 3934 2e31 342c 2d33 3635 2e33 3922 2f3e 94.14,-365.39\"/>\n-0001e250: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0001e260: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-0001e270: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-0001e280: 3d22 3230 3936 2e39 2c2d 3336 332e 3233 =\"2096.9,-363.23\n-0001e290: 2032 3038 382e 3235 2c2d 3335 372e 3132 2088.25,-357.12\n-0001e2a0: 2032 3039 312e 322c 2d33 3637 2e33 2032 2091.2,-367.3 2\n-0001e2b0: 3039 362e 392c 2d33 3633 2e32 3322 2f3e 096.9,-363.23\"/>\n-0001e2c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001e2d0: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n-0001e2e0: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-0001e2f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e300: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n-0001e310: 6720 6964 3d22 6564 6765 3139 3722 2063 g id=\"edge197\" c\n-0001e320: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001e330: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001e340: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n-0001e350: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001e360: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-0001e370: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils..<\n-0001e400: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001e410: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001e420: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001e430: 3232 3538 2e35 362c 2d31 3035 332e 3433 2258.56,-1053.43\n-0001e440: 2032 3234 392e 3132 2c2d 3130 3438 2e36 2249.12,-1048.6\n-0001e450: 3220 3232 3533 2e35 312c 2d31 3035 382e 2 2253.51,-1058.\n-0001e460: 3237 2032 3235 382e 3536 2c2d 3130 3533 27 2258.56,-1053\n-0001e470: 2e34 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .43\"/>....module_\n-0001e4f0: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n-0001e500: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001e510: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0001e520: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-0001e530: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n-0001e5b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001e5c0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001e5d0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001e5e0: 3136 3332 2e31 362c 2d35 3430 2e32 3620 1632.16,-540.26 \n-0001e5f0: 3136 3431 2e39 332c 2d35 3336 2e31 3620 1641.93,-536.16 \n-0001e600: 3136 3331 2e37 342c 2d35 3333 2e32 3720 1631.74,-533.27 \n-0001e610: 3136 3332 2e31 362c 2d35 3430 2e32 3622 1632.16,-540.26\"\n-0001e620: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....mo\n-0001e690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e6a0: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n-0001e6b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001e6c0: 6d64 6c69 623c 2f74 6974 6c65 3e0a 3c70 mdlib......m\n-0001e840: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e850: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n-0001e860: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e870: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-0001e880: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n-0001e940: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001e950: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001e960: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-0001e970: 3739 322e 3239 2c2d 3137 372e 3236 2037 792.29,-177.26 7\n-0001e980: 3937 2e30 312c 2d31 3637 2e37 3820 3738 97.01,-167.78 78\n-0001e990: 372e 342c 2d31 3732 2e32 3420 3739 322e 7.4,-172.24 792.\n-0001e9a0: 3239 2c2d 3137 372e 3236 222f 3e0a 3c2f 29,-177.26\"/>....modul\n-0001ea20: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n-0001ea30: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n-0001ea40: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001ea50: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes....\n-0001ec20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-0001ee90: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n-0001eea0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001eeb0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-0001eec0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n-0001f080: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n-0001f090: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001f0a0: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio.....\n-0001f260: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0001f270: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-0001f280: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n-0001f290: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001f2a0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-0001f2b0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity....\n-0001f460: 0a3c 6720 6964 3d22 6564 6765 3231 3022 ..<\n-0001f480: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001f490: 5f67 726f 6d61 6373 5f65 7373 656e 7469 _gromacs_essenti\n-0001f4a0: 616c 6479 6e61 6d69 6373 2623 3435 3b26 aldynamics-&\n-0001f4b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001f4c0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib....<\n-0001f5e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f5f0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-0001f600: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-0001f610: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001f620: 6163 735f 676d 786c 6962 202d 2d3e 0a3c acs_gmxlib -->.<\n-0001f630: 6720 6964 3d22 6564 6765 3230 3922 2063 g id=\"edge209\" c\n-0001f640: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001f660: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-0001f670: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-0001f680: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001f690: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib......mod\n-0001f820: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001f830: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0001f840: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001f850: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001f860: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......modu\n-0001fad0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001fae0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-0001faf0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001fb00: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001fb10: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec..\n-0001fcc0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0001fd40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001fd50: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n-0001fd60: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n-0001fd70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fd80: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline</tit\n-0001fd90: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001fda0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-0001fdb0: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n-0001fdc0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001fdd0: 3130 3535 2e30 332c 2d32 3830 2e31 3143 1055.03,-280.11C\n-0001fde0: 3132 3331 2e31 332c 2d32 3739 2e39 3620 1231.13,-279.96 \n-0001fdf0: 3136 3834 2e36 392c 2d32 3735 2e32 3720 1684.69,-275.27 \n-0001fe00: 3137 3335 2e35 362c 2d32 3331 2e34 3820 1735.56,-231.48 \n-0001fe10: 3137 3434 2e32 382c 2d32 3233 2e39 3720 1744.28,-223.97 \n-0001fe20: 3137 3536 2e33 322c 2d31 3533 2e33 3520 1756.32,-153.35 \n-0001fe30: 3137 3632 2e31 342c 2d31 3136 2e30 3822 1762.14,-116.08\"\n-0001fe40: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0001fe50: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n-0001fe60: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n-0001fe70: 3137 3635 2e36 312c 2d31 3136 2e35 3320 1765.61,-116.53 \n-0001fe80: 3137 3633 2e36 372c 2d31 3036 2e31 3220 1763.67,-106.12 \n-0001fe90: 3137 3538 2e36 392c 2d31 3135 2e34 3720 1758.69,-115.47 \n-0001fea0: 3137 3635 2e36 312c 2d31 3136 2e35 3322 1765.61,-116.53\"\n-0001feb0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0001fec0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fed0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0001fee0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001fef0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001ff00: 6569 6f20 2d2d 3e0a 3c67 2069 643d 2265 eio -->.<g id=\"e\n-0001ff10: 6467 6532 3038 2220 636c 6173 733d 2265 dge208\" class=\"e\n-0001ff20: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001ff30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ff40: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0001ff50: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001ff60: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001ff70: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......\n-00020100: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020110: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 2623 cs_commandline&#\n-00020120: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00020130: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n-00020140: 6865 6c70 3c2f 7469 746c 653e 0a3c 7061 help......module_src_grom\n-00020450: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n-00020460: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00020470: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00020480: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o..\n-000205c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00020640: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-00020650: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-00020660: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00020670: 5f67 726f 6d61 6373 5f63 6f6d 7061 743c _gromacs_compat<\n-00020680: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00020690: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-000206a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-000206b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-000206c0: 2220 643d 224d 3138 3639 2e34 352c 2d33 \" d=\"M1869.45,-3\n-000206d0: 3935 2e39 3443 3139 3136 2e36 312c 2d33 95.94C1916.61,-3\n-000206e0: 3834 2e34 3620 3139 3934 2e35 362c 2d33 84.46 1994.56,-3\n-000206f0: 3635 2e34 3820 3230 3431 2e31 2c2d 3335 65.48 2041.1,-35\n-00020700: 342e 3135 222f 3e0a 3c70 6f6c 7967 6f6e 4.15\"/>.<polygon\n-00020710: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-00020720: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-00020730: 2070 6f69 6e74 733d 2232 3034 322e 322c points=\"2042.2,\n-00020740: 2d33 3537 2e34 3820 3230 3531 2e30 392c -357.48 2051.09,\n-00020750: 2d33 3531 2e37 3220 3230 3430 2e35 342c -351.72 2040.54,\n-00020760: 2d33 3530 2e36 3820 3230 3432 2e32 2c2d -350.68 2042.2,-\n-00020770: 3335 372e 3438 222f 3e0a 3c2f 673e 0a3c 357.48\"/>.</g>.<\n-00020780: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020790: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-000207a0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-000207b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000207c0: 6373 5f6d 6472 756e 202d 2d3e 0a3c 6720 cs_mdrun -->.<g \n-000207d0: 6964 3d22 6564 6765 3232 3122 2063 6c61 id=\"edge221\" cla\n-000207e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-000207f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00020800: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00020810: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-00020820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00020830: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n-00020840: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00020850: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n-00020860: 224d 3138 3336 2e38 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1\n-00020950: 3630 342e 3637 2c2d 3738 312e 3633 222f 604.67,-781.63\"/\n-00020960: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >...\n-00020a20: 0a3c 6720 6964 3d22 6564 6765 3232 3522 ..<\n-00020a40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00020a50: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00020a60: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-00020a70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00020a80: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald.....\n-00020c50: 3c67 2069 643d 2265 6467 6532 3331 2220 .module_src_\n-00020c80: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-00020c90: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-00020ca0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00020cb0: 6163 735f 7461 736b 6173 7369 676e 6d65 acs_taskassignme\n-00020cc0: 6e74 3c2f 7469 746c 653e 0a3c 7061 7468 nt..<\n-00020d30: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00020d40: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00020d50: 706f 696e 7473 3d22 3136 3837 2e39 392c points=\"1687.99,\n-00020d60: 2d33 3535 2e31 3420 3136 3737 2e34 2c2d -355.14 1677.4,-\n-00020d70: 3335 352e 3332 2031 3638 352e 3739 2c2d 355.32 1685.79,-\n-00020d80: 3336 312e 3738 2031 3638 372e 3939 2c2d 361.78 1687.99,-\n-00020d90: 3335 352e 3134 222f 3e0a 3c2f 673e 0a3c 355.14\"/>..<\n-00020da0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020db0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00020dc0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00020dd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020de0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n-00020df0: 0a3c 6720 6964 3d22 6564 6765 3231 3622 ..<\n-00020e10: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00020e20: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00020e30: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-00020e40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00020e50: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils.....\n-00021070: 3c67 2069 643d 2265 6467 6532 3233 2220 .module_src_\n-000210a0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-000210b0: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-000210c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000210d0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n-000210e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-000211e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n-00021230: 6720 6964 3d22 6564 6765 3231 3922 2063 g id=\"edge219\" c\n-00021240: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00021260: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00021270: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00021280: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021290: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-000212a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-00021450: 0a3c 6720 6964 3d22 6564 6765 3232 3422 ..<\n-00021470: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00021480: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00021490: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-000214a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000214b0: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random.\n-00021540: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-000215b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-00021600: 3c67 2069 643d 2265 6467 6532 3236 2220 .module_src_\n-00021630: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-00021640: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-00021650: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00021660: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib....\n-000217e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-00021860: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00021870: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00021880: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021890: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a s_nbnxm.\n-000218a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-00021950: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n-00021a40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00021a50: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-00021a60: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00021a70: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00021a80: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes.\n-00021be0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-00021ca0: 0a3c 6720 6964 3d22 6564 6765 3231 3822 ..<\n-00021cc0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00021cd0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00021ce0: 7369 6d75 6c61 746f 7226 2334 353b 2667 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->module_\n-00022320: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00022330: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io.....\n-00022490: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000224a0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-000224b0: 6172 7369 6d75 6c61 746f 7226 2334 353b arsimulator-\n-000224c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000224d0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-000224e0: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces....\n-00022610: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n-00022680: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022690: 6373 5f61 6e61 6c79 7369 7364 6174 6126 cs_analysisdata&\n-000226a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000226b0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-000226c0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......mo\n-00022820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 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3b26 6774 _pulling->\n-000230c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000230d0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n-000230e0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000230f0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00023100: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00023110: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00023120: 4d31 3435 362e 3338 2c2d 3334 382e 3634 M1456.38,-348.64\n-00023130: 4331 3334 352e 3933 2c2d 3336 332e 3837 C1345.93,-363.87\n-00023140: 2039 3536 2e31 2c2d 3432 332e 3735 2038 956.1,-423.75 8\n-00023150: 3834 2e35 362c 2d35 3138 2e39 3620 3834 84.56,-518.96 84\n-00023160: 332e 3832 2c2d 3537 332e 3139 2038 3434 3.82,-573.19 844\n-00023170: 2e34 352c 2d36 3136 2e38 3820 3838 342e .45,-616.88 884.\n-00023180: 3536 2c2d 3637 312e 3537 2039 3538 2e33 56,-671.57 958.3\n-00023190: 382c 2d37 3732 2e32 3320 3133 3630 2e31 8,-772.23 1360.1\n-000231a0: 342c 2d38 3235 2e37 3820 3134 3934 2e36 4,-825.78 1494.6\n-000231b0: 362c 2d38 3431 2e30 3822 2f3e 0a3c 706f 6,-841.08\"/>.<po\n-000231c0: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-000231d0: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-000231e0: 3266 6363 2220 706f 696e 7473 3d22 3134 2fcc\" points=\"14\n-000231f0: 3934 2e32 392c 2d38 3434 2e35 3620 3135 94.29,-844.56 15\n-00023200: 3034 2e36 312c 2d38 3432 2e32 2031 3439 04.61,-842.2 149\n-00023210: 352e 3037 2c2d 3833 372e 3620 3134 3934 5.07,-837.6 1494\n-00023220: 2e32 392c 2d38 3434 2e35 3622 2f3e 0a3c .29,-844.56\"/>.<\n-00023230: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-00023240: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00023250: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-00023260: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00023270: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c ommandline -->.<\n-00023280: 6720 6964 3d22 6564 6765 3233 3522 2063 g id=\"edge235\" c\n-00023290: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-000232a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-000232b0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-000232c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000232d0: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-000232e0: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......mod\n-00023480: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023490: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n-000234a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000234b0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-000234c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000234d0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000234e0: 6662 6622 2064 3d22 4d31 3438 312e 3237 fbf\" d=\"M1481.27\n-000234f0: 2c2d 3335 372e 3139 4331 3437 352e 3538 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module_s\n-000235e0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-000235f0: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n-00023600: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00023610: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265 pat -->.<g id=\"e\n-00023620: 6467 6532 3432 2220 636c 6173 733d 2265 dge242\" class=\"e\n-00023630: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00023640: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023650: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n-00023660: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023670: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-00023680: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n-00023730: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00023740: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00023750: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00023760: 3230 3533 2e35 2c2d 3336 322e 3932 2032 2053.5,-362.92 2\n-00023770: 3036 302e 3731 2c2d 3335 352e 3136 2032 060.71,-355.16 2\n-00023780: 3035 302e 3233 2c2d 3335 362e 3733 2032 050.23,-356.73 2\n-00023790: 3035 332e 352c 2d33 3632 2e39 3222 2f3e 053.5,-362.92\"/>\n-000237a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-00023810: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00023820: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-00023830: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00023840: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974 macs_mdspan</tit\n-00023850: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00023860: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00023870: 3832 6663 6322 2064 3d22 4d31 3430 322e 82fcc\" d=\"M1402.\n-00023880: 3235 2c2d 3435 352e 3735 4331 3339 392e 25,-455.75C1399.\n-00023890: 3432 2c2d 3432 332e 3132 2031 3339 342e 42,-423.12 1394.\n-000238a0: 3836 2c2d 3333 342e 3533 2031 3432 302e 86,-334.53 1420.\n-000238b0: 3536 2c2d 3236 372e 3438 2031 3433 322e 56,-267.48 1432.\n-000238c0: 3836 2c2d 3233 352e 3339 2031 3434 312e 86,-235.39 1441.\n-000238d0: 3135 2c2d 3232 382e 3820 3134 3635 2e35 15,-228.8 1465.5\n-000238e0: 362c 2d32 3034 2e36 3120 3134 3737 2e39 6,-204.61 1477.9\n-000238f0: 382c 2d31 3932 2e33 3120 3134 3933 2e38 8,-192.31 1493.8\n-00023900: 332c 2d31 3830 2e39 3420 3135 3037 2e32 3,-180.94 1507.2\n-00023910: 2c2d 3137 322e 3332 222f 3e0a 3c70 6f6c ,-172.32\"/>.<pol\n-00023920: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00023930: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00023940: 6663 6322 2070 6f69 6e74 733d 2231 3530 fcc\" points=\"150\n-00023950: 392e 3338 2c2d 3137 352e 3038 2031 3531 9.38,-175.08 151\n-00023960: 362c 2d31 3636 2e38 2031 3530 352e 3637 6,-166.8 1505.67\n-00023970: 2c2d 3136 392e 3135 2031 3530 392e 3338 ,-169.15 1509.38\n-00023980: 2c2d 3137 352e 3038 222f 3e0a 3c2f 673e ,-175.08\"/>.</g>\n-00023990: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-000239a0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n-000239b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000239c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000239d0: 7574 696c 6974 7920 2d2d 3e0a 3c67 2069 utility -->.<g i\n-000239e0: 643d 2265 6467 6532 3436 2220 636c 6173 d=\"edge246\" clas\n-000239f0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-00023a00: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-00023a10: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-00023a20: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00023a30: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00023a40: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty...\n-00023b40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-00023bb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023bc0: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n-00023bd0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00023be0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-00023bf0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00023c00: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00023c10: 6266 6266 2220 643d 224d 3133 3739 2e35 bfbf\" d=\"M1379.5\n-00023c20: 312c 2d34 3633 2e32 3543 3133 3331 2e39 1,-463.25C1331.9\n-00023c30: 372c 2d34 3531 2e32 3520 3132 3330 2e35 7,-451.25 1230.5\n-00023c40: 362c 2d34 3137 2e31 3620 3132 3330 2e35 6,-417.16 1230.5\n-00023c50: 362c 2d33 3434 2e37 3920 3132 3330 2e35 6,-344.79 1230.5\n-00023c60: 362c 2d33 3434 2e37 3920 3132 3330 2e35 6,-344.79 1230.5\n-00023c70: 362c 2d33 3434 2e37 3920 3132 3330 2e35 6,-344.79 1230.5\n-00023c80: 362c 2d32 3739 2e39 3220 3132 3330 2e35 6,-279.92 1230.5\n-00023c90: 362c 2d32 3031 2e32 3120 3935 362e 3331 6,-201.21 956.31\n-00023ca0: 2c2d 3136 382e 3935 2038 3530 2e35 312c ,-168.95 850.51,\n-00023cb0: 2d31 3539 2e34 3322 2f3e 0a3c 706f 6c79 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e\">.<title>modul\n-00023da0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00023db0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-00023dc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023dd0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-00023de0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-00024070: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00024080: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-00024090: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000240a0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-000240b0: 746f 723c 2f74 6974 6c65 3e0a 3c70 6174 tor......module_src_grom\n-00024210: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-00024220: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00024230: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n-00024240: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-000242b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n-000243a0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-000243b0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-000243c0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-000243d0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n-000243e0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n-00024570: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024580: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n-00024590: 3b6d 6f64 756c 655f 7372 635f 7465 7374 ;module_src_test\n-000245a0: 7574 696c 733c 2f74 6974 6c65 3e0a 3c70 utils.\n-00024690: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_grom\n-00024790: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n-000247a0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-000247b0: 5f73 7263 5f67 726f 6d61 6373 5f68 6172 _src_gromacs_har\n-000247c0: 6477 6172 653c 2f74 6974 6c65 3e0a 3c70 dware.....<\n-00024be0: 6720 6964 3d22 6564 6765 3235 3522 2063 g id=\"edge255\" c\n-00024bf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00024c10: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-00024c20: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-00024c30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00024c40: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility......modul\n-00024e20: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-00024e30: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n-00024e40: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00024e50: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n-00024e60: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00024e70: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00024e80: 6266 6266 6266 2220 643d 224d 3139 3934 bfbfbf\" d=\"M1994\n-00024e90: 2e36 332c 2d32 3934 2e35 3543 3139 3833 .63,-294.55C1983\n-00024ea0: 2e30 332c 2d33 3532 2e30 3320 3139 3039 .03,-352.03 1909\n-00024eb0: 2e36 332c 2d35 3836 2e39 3420 3138 3833 .63,-586.94 1883\n-00024ec0: 2e35 362c 2d36 3038 2e37 2031 3834 372e .56,-608.7 1847.\n-00024ed0: 342c 2d36 3338 2e38 3820 3137 3037 2e33 4,-638.88 1707.3\n-00024ee0: 362c 2d36 3531 2e31 3920 3136 3338 2e36 6,-651.19 1638.6\n-00024ef0: 392c 2d36 3535 2e33 3422 2f3e 0a3c 706f 9,-655.34\"/>.<po\n-00024f00: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-00024f10: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-00024f20: 6266 6266 2220 706f 696e 7473 3d22 3136 bfbf\" points=\"16\n-00024f30: 3338 2e34 392c 2d36 3531 2e38 3420 3136 38.49,-651.84 16\n-00024f40: 3238 2e37 2c2d 3635 352e 3931 2031 3633 28.7,-655.91 163\n-00024f50: 382e 3839 2c2d 3635 382e 3833 2031 3633 8.89,-658.83 163\n-00024f60: 382e 3439 2c2d 3635 312e 3834 222f 3e0a 8.49,-651.84\"/>.\n-00024f70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00024f80: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00024f90: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-00024fa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00024fb0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n-00024fc0: 0a3c 6720 6964 3d22 6564 6765 3235 3422 .<g id=\"edge254\"\n-00024fd0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00024fe0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00024ff0: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n-00025000: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00025010: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00025020: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n-00025030: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n-00025860: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-00025870: 7465 645f 666f 7263 6573 2623 3435 3b26 ted_forces-&\n-00025880: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00025890: 6f6d 6163 735f 7461 626c 6573 3c2f 7469 omacs_tables</ti\n-000258a0: 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6c6c />.<polygon fill\n+0001bdf0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0001be00: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0001be10: 7473 3d22 3137 3538 2e34 332c 2d36 3139 ts=\"1758.43,-619\n+0001be20: 2e32 3220 3137 3536 2e30 352c 2d36 3038 .22 1756.05,-608\n+0001be30: 2e38 3920 3137 3531 2e34 372c 2d36 3138 .89 1751.47,-618\n+0001be40: 2e34 3520 3137 3538 2e34 332c 2d36 3139 .45 1758.43,-619\n+0001be50: 2e32 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d .22\"/>.</g>.<!--\n+0001be60: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001be70: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0001be80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001be90: 6f6d 6163 735f 6666 7420 2d2d 3e0a 3c67 omacs_fft -->.<g\n+0001bea0: 2069 643d 2265 6467 6531 3830 2220 636c id=\"edge180\" cl\n+0001beb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001bec0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001bed0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+0001bee0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001bef0: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft</tit\n+0001bf00: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001bf10: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n+0001bf20: 6163 6b22 2073 7472 6f6b 652d 6461 7368 ack\" stroke-dash\n+0001bf30: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001bf40: 3136 3632 2e30 352c 2d31 3033 342e 3543 1662.05,-1034.5C\n+0001bf50: 3138 3132 2e37 342c 2d31 3033 342e 3832 1812.74,-1034.82\n+0001bf60: 2032 3339 342e 3938 2c2d 3130 3332 2e39 2394.98,-1032.9\n+0001bf70: 3820 3234 3630 2e35 362c 2d39 3835 2e39 8 2460.56,-985.9\n+0001bf80: 3220 3235 3837 2e38 322c 2d38 3934 2e36 2 2587.82,-894.6\n+0001bf90: 2032 3539 322e 3536 2c2d 3831 352e 3737 2592.56,-815.77\n+0001bfa0: 2032 3539 322e 3536 2c2d 3635 392e 3134 2592.56,-659.14\n+0001bfb0: 2032 3539 322e 3536 2c2d 3635 392e 3134 2592.56,-659.14\n+0001bfc0: 2032 3539 322e 3536 2c2d 3635 392e 3134 2592.56,-659.14\n+0001bfd0: 2032 3539 322e 3536 2c2d 3237 392e 3932 2592.56,-279.92\n+0001bfe0: 2032 3539 322e 3536 2c2d 3233 362e 3431 2592.56,-236.41\n+0001bff0: 2032 3535 372e 3433 2c2d 3139 352e 3920 2557.43,-195.9 \n+0001c000: 3235 3334 2e30 332c 2d31 3733 2e37 3422 2534.03,-173.74\"\n+0001c010: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0001c020: 3d22 626c 6163 6b22 2073 7472 6f6b 653d =\"black\" stroke=\n+0001c030: 2262 6c61 636b 2220 706f 696e 7473 3d22 \"black\" points=\"\n+0001c040: 3235 3336 2e33 352c 2d31 3731 2e31 3220 2536.35,-171.12 \n+0001c050: 3235 3236 2e36 312c 2d31 3636 2e39 3520 2526.61,-166.95 \n+0001c060: 3235 3331 2e36 322c 2d31 3736 2e32 3820 2531.62,-176.28 \n+0001c070: 3235 3336 2e33 352c 2d31 3731 2e31 3222 2536.35,-171.12\"\n+0001c080: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001c090: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c0a0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n+0001c0b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001c0c0: 735f 6d64 7370 616e 202d 2d3e 0a3c 6720 s_mdspan -->.<g \n+0001c0d0: 6964 3d22 6564 6765 3138 3422 2063 6c61 id=\"edge184\" cla\n+0001c0e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001c0f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001c100: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0001c110: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001c120: 726f 6d61 6373 5f6d 6473 7061 6e3c 2f74 romacs_mdspan</t\n+0001c130: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001c140: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001c150: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001c160: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001c170: 643d 224d 3136 3631 2e36 372c 2d31 3033 d=\"M1661.67,-103\n+0001c180: 332e 3636 4331 3831 322e 3839 2c2d 3130 3.66C1812.89,-10\n+0001c190: 3330 2e34 3820 3234 3034 2e34 2c2d 3130 30.48 2404.4,-10\n+0001c1a0: 3136 2e31 3920 3234 3831 2e35 362c 2d39 16.19 2481.56,-9\n+0001c1b0: 3835 2e39 3220 3236 3131 2e36 372c 2d39 85.92 2611.67,-9\n+0001c1c0: 3334 2e38 3820 3236 3532 2e35 362c 2d38 34.88 2652.56,-8\n+0001c1d0: 3631 2e37 3720 3236 3532 2e35 362c 2d37 61.77 2652.56,-7\n+0001c1e0: 3232 2e30 3120 3236 3532 2e35 362c 2d37 22.01 2652.56,-7\n+0001c1f0: 3232 2e30 3120 3236 3532 2e35 362c 2d37 22.01 2652.56,-7\n+0001c200: 3232 2e30 3120 3236 3532 2e35 362c 2d35 22.01 2652.56,-5\n+0001c210: 3934 2e32 3720 3236 3532 2e35 362c 2d35 94.27 2652.56,-5\n+0001c220: 3130 2e38 3520 3236 3732 2e35 362c 2d34 10.85 2672.56,-4\n+0001c230: 3931 2e30 3720 3236 3732 2e35 362c 2d34 91.07 2672.56,-4\n+0001c240: 3037 2e36 3620 3236 3732 2e35 362c 2d34 07.66 2672.56,-4\n+0001c250: 3037 2e36 3620 3236 3732 2e35 362c 2d34 07.66 2672.56,-4\n+0001c260: 3037 2e36 3620 3236 3732 2e35 362c 2d32 07.66 2672.56,-2\n+0001c270: 3739 2e39 3220 3236 3732 2e35 362c 2d32 79.92 2672.56,-2\n+0001c280: 3435 2e37 3920 3236 3735 2e36 2c2d 3233 45.79 2675.6,-23\n+0001c290: 332e 3538 2032 3635 372e 3536 2c2d 3230 3.58 2657.56,-20\n+0001c2a0: 342e 3631 2032 3634 332e 3635 2c2d 3138 4.61 2643.65,-18\n+0001c2b0: 322e 3237 2032 3633 302e 3033 2c2d 3138 2.27 2630.03,-18\n+0001c2c0: 362e 3320 3236 3130 2e35 362c 2d31 3638 6.3 2610.56,-168\n+0001c2d0: 2e36 3120 3235 3938 2e34 392c 2d31 3537 .61 2598.49,-157\n+0001c2e0: 2e36 3420 3235 3939 2e33 312c 2d31 3530 .64 2599.31,-150\n+0001c2f0: 2e35 3120 3235 3835 2e35 362c 2d31 3431 .51 2585.56,-141\n+0001c300: 2e37 3420 3235 3735 2e38 392c 2d31 3335 .74 2575.89,-135\n+0001c310: 2e35 3720 3235 3134 2e33 332c 2d31 3136 .57 2514.33,-116\n+0001c320: 2e35 3220 3234 3733 2e34 322c 2d31 3034 .52 2473.42,-104\n+0001c330: 2e32 3322 2f3e 0a3c 706f 6c79 676f 6e20 .23\"/>.<polygon \n+0001c340: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0001c350: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001c360: 706f 696e 7473 3d22 3234 3734 2e33 352c points=\"2474.35,\n+0001c370: 2d31 3030 2e38 3520 3234 3633 2e37 372c -100.85 2463.77,\n+0001c380: 2d31 3031 2e33 3420 3234 3732 2e33 342c -101.34 2472.34,\n+0001c390: 2d31 3037 2e35 3620 3234 3734 2e33 352c -107.56 2474.35,\n+0001c3a0: 2d31 3030 2e38 3522 2f3e 0a3c 2f67 3e0a -100.85\"/>.</g>.\n+0001c3b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0001c3c0: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0001c3d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001c3e0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0001c3f0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001c400: 3138 3222 2063 6c61 7373 3d22 6564 6765 182\" class=\"edge\n+0001c410: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001c420: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0001c430: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0001c440: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001c450: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib....\n+0001c610: 0a3c 6720 6964 3d22 6564 6765 3137 3322 ..<\n+0001c630: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001c640: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0001c650: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001c660: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0001c670: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......module_src_grom\n+0001c840: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n+0001c850: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c860: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0001c870: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+0001c880: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+0001ca80: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n+0001ca90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001caa0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib......module_src_gr\n+0001cc80: 6f6d 6163 735f 696d 6426 2334 353b 2667 omacs_imd-&g\n+0001cc90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001cca0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes.....\n+0001ce30: 3c67 2069 643d 2265 6467 6531 3835 2220 .module_src_\n+0001ce60: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n+0001ce70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001ce80: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0001ce90: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......module\n+0001d020: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+0001d030: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001d040: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001d050: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec....\n+0001d1c0: 0a3c 6720 6964 3d22 6564 6765 3139 3022 ..<\n+0001d1e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001d1f0: 5f67 726f 6d61 6373 5f69 6d64 2623 3435 _gromacs_imd-\n+0001d200: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001d210: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+0001d220: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...\n+0001d320: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+0001d540: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d550: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+0001d560: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001d570: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio..<\n+0001d610: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001d620: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001d630: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001d640: 3132 3432 2e36 2c2d 3636 312e 3220 3132 1242.6,-661.2 12\n+0001d650: 3532 2e35 362c 2d36 3537 2e35 3920 3132 52.56,-657.59 12\n+0001d660: 3432 2e35 322c 2d36 3534 2e32 2031 3234 42.52,-654.2 124\n+0001d670: 322e 362c 2d36 3631 2e32 222f 3e0a 3c2f 2.6,-661.2\"/>....modul\n+0001d6d0: 655f 7372 635f 6772 6f6d 6163 735f 7062 e_src_gromacs_pb\n+0001d6e0: 6375 7469 6c3c 2f74 6974 6c65 3e0a 3c65 cutil..pbcutil...\n+0001d800: 3c67 2069 643d 2265 6467 6531 3932 2220 .module_src_\n+0001d830: 6772 6f6d 6163 735f 7062 6375 7469 6c26 gromacs_pbcutil&\n+0001d840: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001d850: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001d860: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils......mo\n+0001d9c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d9d0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001d9e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001d9f0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+0001da00: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......mo\n+0001dbf0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001dc00: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001dc10: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001dc20: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0001dc30: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+0001dd90: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001dda0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001ddb0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001ddc0: 3833 302e 3431 2c2d 3936 362e 3437 2038 830.41,-966.47 8\n+0001ddd0: 3230 2e35 372c 2d39 3730 2e34 2038 3330 20.57,-970.4 830\n+0001dde0: 2e37 312c 2d39 3733 2e34 3620 3833 302e .71,-973.46 830.\n+0001ddf0: 3431 2c2d 3936 362e 3437 222f 3e0a 3c2f 41,-966.47\"/>....\n+0001de80: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001de90: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0001dea0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0001deb0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n+0001dec0: 656e 7469 616c 6479 6e61 6d69 6373 3c2f entialdynamics</\n+0001ded0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001dee0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001def0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001df00: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+0001df10: 2064 3d22 4d31 3432 302e 392c 2d32 3735 d=\"M1420.9,-275\n+0001df20: 2e34 3443 3132 3836 2e30 352c 2d32 3634 .44C1286.05,-264\n+0001df30: 2e36 2039 3431 2e39 362c 2d32 3336 2e39 .6 941.96,-236.9\n+0001df40: 3320 3739 312e 3635 2c2d 3232 342e 3834 3 791.65,-224.84\n+0001df50: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0001df60: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n+0001df70: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+0001df80: 6e74 733d 2237 3931 2e38 352c 2d32 3231 nts=\"791.85,-221\n+0001df90: 2e33 3520 3738 312e 362c 2d32 3234 2e30 .35 781.6,-224.0\n+0001dfa0: 3320 3739 312e 3239 2c2d 3232 382e 3332 3 791.29,-228.32\n+0001dfb0: 2037 3931 2e38 352c 2d32 3231 2e33 3522 791.85,-221.35\"\n+0001dfc0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001dfd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001dfe0: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+0001dff0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001e000: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+0001e010: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+0001e020: 6531 3937 2220 636c 6173 733d 2265 6467 e197\" class=\"edg\n+0001e030: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001e040: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+0001e050: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+0001e060: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001e070: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+0001e080: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001e090: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001e0a0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+0001e0b0: 3437 302e 3035 2c2d 3239 342e 3543 3134 470.05,-294.5C14\n+0001e0c0: 3533 2e30 312c 2d33 3237 2e34 3520 3134 53.01,-327.45 14\n+0001e0d0: 3038 2e31 362c 2d34 3134 2e30 3920 3134 08.16,-414.09 14\n+0001e0e0: 3034 2e35 362c 2d34 3230 2e30 3920 3133 04.56,-420.09 13\n+0001e0f0: 3837 2e31 352c 2d34 3439 2e31 3220 3133 87.15,-449.12 13\n+0001e100: 3832 2e30 352c 2d34 3536 2e30 3120 3133 82.05,-456.01 13\n+0001e110: 3631 2e35 362c 2d34 3832 2e39 3620 3133 61.56,-482.96 13\n+0001e120: 3137 2e33 322c 2d35 3431 2e31 3420 3133 17.32,-541.14 13\n+0001e130: 3038 2e38 362c 2d35 3538 2e36 3920 3132 08.86,-558.69 12\n+0001e140: 3535 2e35 362c 2d36 3038 2e37 2031 3232 55.56,-608.7 122\n+0001e150: 312e 3239 2c2d 3634 302e 3835 2031 3231 1.29,-640.85 121\n+0001e160: 322e 352c 2d36 3530 2e33 3920 3131 3730 2.5,-650.39 1170\n+0001e170: 2e35 362c 2d36 3731 2e35 3720 3131 3232 .56,-671.57 1122\n+0001e180: 2c2d 3639 362e 3120 3131 3030 2e32 2c2d ,-696.1 1100.2,-\n+0001e190: 3637 392e 3536 2031 3035 332e 3536 2c2d 679.56 1053.56,-\n+0001e1a0: 3730 372e 3537 2031 3033 392e 3035 2c2d 707.57 1039.05,-\n+0001e1b0: 3731 362e 3239 2031 3034 302e 3239 2c2d 716.29 1040.29,-\n+0001e1c0: 3732 342e 3533 2031 3032 362e 3536 2c2d 724.53 1026.56,-\n+0001e1d0: 3733 342e 3434 2031 3030 372e 3134 2c2d 734.44 1007.14,-\n+0001e1e0: 3734 382e 3436 2039 3833 2e30 362c 2d37 748.46 983.06,-7\n+0001e1f0: 3630 2e35 3920 3936 332e 3838 2c2d 3736 60.59 963.88,-76\n+0001e200: 392e 3231 222f 3e0a 3c70 6f6c 7967 6f6e 9.21\"/>.<polygon\n+0001e210: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001e220: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001e230: 2070 6f69 6e74 733d 2239 3632 2e33 382c points=\"962.38,\n+0001e240: 2d37 3636 2e30 3520 3935 342e 3633 2c2d -766.05 954.63,-\n+0001e250: 3737 332e 3237 2039 3635 2e31 392c 2d37 773.27 965.19,-7\n+0001e260: 3732 2e34 3620 3936 322e 3338 2c2d 3736 72.46 962.38,-76\n+0001e270: 362e 3035 222f 3e0a 3c2f 673e 0a3c 212d 6.05\"/>.</g>.<!-\n+0001e280: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001e290: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0001e2a0: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+0001e2b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+0001e2c0: 6973 7465 645f 666f 7263 6573 202d 2d3e isted_forces -->\n+0001e2d0: 0a3c 6720 6964 3d22 6564 6765 3139 3522 .<g id=\"edge195\"\n+0001e2e0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0001e2f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001e300: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+0001e310: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n+0001e320: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e330: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+0001e340: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n+0001e760: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e770: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001e780: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001e790: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001e7a0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......m\n+0001e940: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e950: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0001e960: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001e970: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0001e980: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d......m\n+0001eae0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001eaf0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0001eb00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001eb10: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0001eb20: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+0001eb30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0001ebb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module\n+0001eca0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+0001ecb0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+0001ecc0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001ecd0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+0001ece0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001ecf0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001ed00: 2362 6662 6662 6622 2064 3d22 4d31 3436 #bfbfbf\" d=\"M146\n+0001ed10: 352e 3133 2c2d 3236 372e 3633 4331 3434 5.13,-267.63C144\n+0001ed20: 362e 3132 2c2d 3234 372e 3320 3134 3039 6.12,-247.3 1409\n+0001ed30: 2e33 2c2d 3230 382e 3532 2031 3430 312e .3,-208.52 1401.\n+0001ed40: 3536 2c2d 3230 342e 3631 2031 3335 322e 56,-204.61 1352.\n+0001ed50: 3431 2c2d 3137 392e 3820 3131 3932 2e39 41,-179.8 1192.9\n+0001ed60: 322c 2d31 3634 2e39 3220 3131 3136 2e37 2,-164.92 1116.7\n+0001ed70: 372c 2d31 3539 2e30 3622 2f3e 0a3c 706f 7,-159.06\"/>.<po\n+0001ed80: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+0001ed90: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+0001eda0: 6266 6266 2220 706f 696e 7473 3d22 3131 bfbf\" points=\"11\n+0001edb0: 3136 2e38 332c 2d31 3535 2e35 3620 3131 16.83,-155.56 11\n+0001edc0: 3036 2e36 2c2d 3135 382e 3239 2031 3131 06.6,-158.29 111\n+0001edd0: 362e 3331 2c2d 3136 322e 3534 2031 3131 6.31,-162.54 111\n+0001ede0: 362e 3833 2c2d 3135 352e 3536 222f 3e0a 6.83,-155.56\"/>.\n+0001edf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001ee00: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001ee10: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+0001ee20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0001ee30: 6f6d 7061 7420 2d2d 3e0a 3c67 2069 643d ompat -->.<g id=\n+0001ee40: 2265 6467 6532 3133 2220 636c 6173 733d \"edge213\" class=\n+0001ee50: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001ee60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ee70: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+0001ee80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001ee90: 6163 735f 636f 6d70 6174 3c2f 7469 746c acs_compat</titl\n+0001eea0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001eeb0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001eec0: 3266 6363 2220 643d 224d 3930 332e 3032 2fcc\" d=\"M903.02\n+0001eed0: 2c2d 3435 362e 3035 4338 3838 2e30 342c ,-456.05C888.04,\n+0001eee0: 2d34 3331 2e34 3820 3835 332e 3137 2c2d -431.48 853.17,-\n+0001eef0: 3337 352e 3331 2038 3230 2e35 362c 2d33 375.31 820.56,-3\n+0001ef00: 3330 2e33 3520 3831 332e 3632 2c2d 3332 30.35 813.62,-32\n+0001ef10: 302e 3738 2038 3035 2e34 382c 2d33 3130 0.78 805.48,-310\n+0001ef20: 2e35 3420 3739 382e 3434 2c2d 3330 312e .54 798.44,-301.\n+0001ef30: 3935 222f 3e0a 3c70 6f6c 7967 6f6e 2066 95\"/>.<polygon f\n+0001ef40: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+0001ef50: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+0001ef60: 6f69 6e74 733d 2238 3030 2e39 322c 2d32 oints=\"800.92,-2\n+0001ef70: 3939 2e34 3620 3739 312e 3835 2c2d 3239 99.46 791.85,-29\n+0001ef80: 332e 3939 2037 3935 2e35 332c 2d33 3033 3.99 795.53,-303\n+0001ef90: 2e39 3220 3830 302e 3932 2c2d 3239 392e .92 800.92,-299.\n+0001efa0: 3436 222f 3e0a 3c2f 673e 0a3c 212d 2d20 46\"/>.</g>.<!-- \n+0001efb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001efc0: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+0001efd0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001efe0: 6d61 6373 5f68 6172 6477 6172 6520 2d2d macs_hardware --\n+0001eff0: 3e0a 3c67 2069 643d 2265 6467 6532 3037 >.<g id=\"edge207\n+0001f000: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001f010: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001f020: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001f030: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001f040: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+0001f050: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware....\n+0001f1f0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+0001f260: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001f270: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001f280: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001f290: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_\n+0001f470: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001f480: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001f490: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0001f4a0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......module_\n+0001f6b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001f6c0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001f6d0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n+0001f6e0: 7374 6564 5f66 6f72 6365 733c 2f74 6974 sted_forces</tit\n+0001f6f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001f700: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001f710: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0001f720: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0001f730: 224d 3934 352e 3331 2c2d 3436 352e 3539 \"M945.31,-465.59\n+0001f740: 4331 3036 312e 3332 2c2d 3435 352e 3738 C1061.32,-455.78\n+0001f750: 2031 3433 322e 362c 2d34 3231 2e30 3620 1432.6,-421.06 \n+0001f760: 3135 3332 2e35 362c 2d33 3537 2e32 3220 1532.56,-357.22 \n+0001f770: 3135 3338 2e37 2c2d 3335 332e 3320 3135 1538.7,-353.3 15\n+0001f780: 3935 2e34 372c 2d32 3736 2e34 3620 3136 95.47,-276.46 16\n+0001f790: 3236 2e37 362c 2d32 3339 2e31 222f 3e0a 26.76,-239.1\"/>.\n+0001f7a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+0001f7b0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n+0001f7c0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n+0001f7d0: 2231 3632 392e 3535 2c2d 3234 312e 3233 \"1629.55,-241.23\n+0001f7e0: 2031 3633 332e 3339 2c2d 3233 312e 3335 1633.39,-231.35\n+0001f7f0: 2031 3632 342e 3233 2c2d 3233 362e 3638 1624.23,-236.68\n+0001f800: 2031 3632 392e 3535 2c2d 3234 312e 3233 1629.55,-241.23\n+0001f810: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0001f820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f830: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+0001f840: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001f850: 6373 5f6d 6472 756e 202d 2d3e 0a3c 6720 cs_mdrun -->.<g \n+0001f860: 6964 3d22 6564 6765 3230 3922 2063 6c61 id=\"edge209\" cla\n+0001f870: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001f880: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001f890: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+0001f8a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001f8b0: 726f 6d61 6373 5f6d 6472 756e 3c2f 7469 romacs_mdrun</ti\n+0001f8c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f8d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001f8e0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0001f8f0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0001f900: 3d22 4d38 3834 2e32 312c 2d34 3630 2e31 =\"M884.21,-460.1\n+0001f910: 4338 3631 2e34 332c 2d34 3531 2e30 3420 C861.43,-451.04 \n+0001f920: 3832 382e 3536 2c2d 3433 352e 3833 2038 828.56,-435.83 8\n+0001f930: 3031 2e35 362c 2d34 3230 2e30 3920 3737 01.56,-420.09 77\n+0001f940: 312e 3434 2c2d 3430 322e 3533 2037 3338 1.44,-402.53 738\n+0001f950: 2e37 382c 2d33 3739 2e33 3720 3731 392e .78,-379.37 719.\n+0001f960: 3031 2c2d 3336 332e 3339 222f 3e0a 3c70 01,-363.39\"/>.<p\n+0001f970: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+0001f980: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+0001f990: 3832 6663 6322 2070 6f69 6e74 733d 2237 82fcc\" points=\"7\n+0001f9a0: 3231 2e30 352c 2d33 3630 2e35 3320 3731 21.05,-360.53 71\n+0001f9b0: 312e 3133 2c2d 3335 362e 3831 2037 3136 1.13,-356.81 716\n+0001f9c0: 2e35 362c 2d33 3635 2e39 3120 3732 312e .56,-365.91 721.\n+0001f9d0: 3035 2c2d 3336 302e 3533 222f 3e0a 3c2f 05,-360.53\"/>.</\n+0001f9e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001f9f0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0001fa00: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+0001fa10: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n+0001fa20: 5f75 7469 6c73 202d 2d3e 0a3c 6720 6964 _utils -->.<g id\n+0001fa30: 3d22 6564 6765 3230 3622 2063 6c61 7373 =\"edge206\" class\n+0001fa40: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001fa50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001fa60: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n+0001fa70: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001fa80: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n+0001fa90: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001faa0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001fab0: 2223 6266 6266 6266 2220 643d 224d 3930 \"#bfbfbf\" d=\"M90\n+0001fac0: 342e 3331 2c2d 3438 332e 3031 4338 3831 4.31,-483.01C881\n+0001fad0: 2e39 2c2d 3532 392e 3720 3831 302e 3736 .9,-529.7 810.76\n+0001fae0: 2c2d 3639 362e 3436 2038 3833 2e35 362c ,-696.46 883.56,\n+0001faf0: 2d37 3937 2e33 3120 3930 352e 3435 2c2d -797.31 905.45,-\n+0001fb00: 3832 372e 3633 2039 3437 2e30 362c 2d38 827.63 947.06,-8\n+0001fb10: 3339 2e32 3720 3938 302e 3239 2c2d 3834 39.27 980.29,-84\n+0001fb20: 332e 3622 2f3e 0a3c 706f 6c79 676f 6e20 3.6\"/>.<polygon \n+0001fb30: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+0001fb40: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+0001fb50: 706f 696e 7473 3d22 3937 392e 3937 2c2d points=\"979.97,-\n+0001fb60: 3834 372e 3038 2039 3930 2e32 392c 2d38 847.08 990.29,-8\n+0001fb70: 3434 2e37 3220 3938 302e 3735 2c2d 3834 44.72 980.75,-84\n+0001fb80: 302e 3133 2039 3739 2e39 372c 2d38 3437 0.13 979.97,-847\n+0001fb90: 2e30 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d .08\"/>.</g>.<!--\n+0001fba0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001fbb0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+0001fbc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001fbd0: 6f6d 6163 735f 696d 6420 2d2d 3e0a 3c67 omacs_imd -->.<g\n+0001fbe0: 2069 643d 2265 6467 6532 3134 2220 636c id=\"edge214\" cl\n+0001fbf0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+0001fc00: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+0001fc10: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+0001fc20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001fc30: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd</tit\n+0001fc40: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001fc50: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001fc60: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0001fc70: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0001fc80: 224d 3838 302e 3739 2c2d 3436 312e 3734 \"M880.79,-461.74\n+0001fc90: 4338 3439 2e31 352c 2d34 3533 2e31 3120 C849.15,-453.11 \n+0001fca0: 3739 382e 3537 2c2d 3433 372e 3237 2037 798.57,-437.27 7\n+0001fcb0: 3536 2e35 362c 2d34 3230 2e30 3920 3636 56.56,-420.09 66\n+0001fcc0: 312e 3136 2c2d 3338 312e 3037 2035 3532 1.16,-381.07 552\n+0001fcd0: 2e38 2c2d 3332 342e 3539 2035 3035 2e39 .8,-324.59 505.9\n+0001fce0: 2c2d 3239 372e 3532 222f 3e0a 3c70 6f6c ,-297.52\"/>.<pol\n+0001fcf0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+0001fd00: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+0001fd10: 6663 6322 2070 6f69 6e74 733d 2235 3037 fcc\" points=\"507\n+0001fd20: 2e35 2c2d 3239 342e 3431 2034 3937 2e31 .5,-294.41 497.1\n+0001fd30: 2c2d 3239 322e 3336 2035 3033 2e39 362c ,-292.36 503.96,\n+0001fd40: 2d33 3030 2e34 3420 3530 372e 352c 2d32 -300.44 507.5,-2\n+0001fd50: 3934 2e34 3122 2f3e 0a3c 2f67 3e0a 3c21 94.41\"/>.</g>.<!\n+0001fd60: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001fd70: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+0001fd80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001fd90: 6772 6f6d 6163 735f 6577 616c 6420 2d2d gromacs_ewald --\n+0001fda0: 3e0a 3c67 2069 643d 2265 6467 6532 3034 >.<g id=\"edge204\n+0001fdb0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0001fdc0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0001fdd0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001fde0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001fdf0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+0001fe00: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d....<\n+0001ff10: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001ff20: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+0001ff30: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ff40: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0001ff50: 696c 6974 7920 2d2d 3e0a 3c67 2069 643d ility -->..m\n+0001ff80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ff90: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+0001ffa0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001ffb0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0001ffc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+000200c0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00020130: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00020140: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+00020150: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00020160: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib..<\n+00020230: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00020240: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00020250: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00020260: 3130 3434 2e32 312c 2d31 3731 2e34 3820 1044.21,-171.48 \n+00020270: 3130 3532 2e31 332c 2d31 3634 2e34 3420 1052.13,-164.44 \n+00020280: 3130 3431 2e35 352c 2d31 3635 2031 3034 1041.55,-165 104\n+00020290: 342e 3231 2c2d 3137 312e 3438 222f 3e0a 4.21,-171.48\"/>.\n+000202a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00020310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020320: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+00020330: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020340: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+00020350: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00020360: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00020370: 6266 6266 2220 643d 224d 3931 392e 3138 bfbf\" d=\"M919.18\n+00020380: 2c2d 3438 322e 3732 4339 3330 2e39 362c ,-482.72C930.96,\n+00020390: 2d34 3938 2e37 3420 3935 332e 3339 2c2d -498.74 953.39,-\n+000203a0: 3532 372e 3032 2039 3737 2e35 362c 2d35 527.02 977.56,-5\n+000203b0: 3435 2e38 3320 3130 3630 2e33 342c 2d36 45.83 1060.34,-6\n+000203c0: 3130 2e32 3720 3131 3834 2e31 312c 2d36 10.27 1184.11,-6\n+000203d0: 3430 2e30 3520 3132 3434 2e32 342c 2d36 40.05 1244.24,-6\n+000203e0: 3531 2e33 3622 2f3e 0a3c 706f 6c79 676f 51.36\"/>.<polygo\n+000203f0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00020400: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00020410: 2220 706f 696e 7473 3d22 3132 3433 2e39 \" points=\"1243.9\n+00020420: 2c2d 3635 342e 3835 2031 3235 342e 3336 ,-654.85 1254.36\n+00020430: 2c2d 3635 332e 3220 3132 3435 2e31 352c ,-653.2 1245.15,\n+00020440: 2d36 3437 2e39 3720 3132 3433 2e39 2c2d -647.97 1243.9,-\n+00020450: 3635 342e 3835 222f 3e0a 3c2f 673e 0a3c 654.85\"/>.</g>.<\n+00020460: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00020470: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n+00020480: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00020490: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n+000204a0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3231 ->.<g id=\"edge21\n+000204b0: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+000204c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000204d0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+000204e0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+000204f0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00020500: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm......module_src_gr\n+00020670: 6f6d 6163 735f 6d61 7468 2623 3435 3b26 omacs_math-&\n+00020680: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020690: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469 omacs_mdspan...\n+000207b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+00020800: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00020810: 696d 696e 673c 2f74 6974 6c65 3e0a 3c65 iming..timing.<\n+000208e0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+00020950: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020960: 735f 7469 6d69 6e67 2623 3435 3b26 6774 s_timing->\n+00020970: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020980: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+00020990: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000209a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+000209b0: 6662 6662 6622 2064 3d22 4d38 3537 2e30 fbfbf\" d=\"M857.0\n+000209c0: 362c 2d38 3335 2e31 3443 3837 302e 3338 6,-835.14C870.38\n+000209d0: 2c2d 3832 362e 3033 2038 3839 2e38 352c ,-826.03 889.85,\n+000209e0: 2d38 3132 2e37 3220 3930 352e 342c 2d38 -812.72 905.4,-8\n+000209f0: 3032 2e30 3822 2f3e 0a3c 706f 6c79 676f 02.08\"/>.<polygo\n+00020a00: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00020a10: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00020a20: 2220 706f 696e 7473 3d22 3930 372e 3735 \" points=\"907.75\n+00020a30: 2c2d 3830 342e 3732 2039 3134 2e30 332c ,-804.72 914.03,\n+00020a40: 2d37 3936 2e31 3820 3930 332e 382c 2d37 -796.18 903.8,-7\n+00020a50: 3938 2e39 3420 3930 372e 3735 2c2d 3830 98.94 907.75,-80\n+00020a60: 342e 3732 222f 3e0a 3c2f 673e 0a3c 212d 4.72\"/>.</g>.<!-\n+00020a70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00020a80: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+00020a90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020aa0: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n+00020ab0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3232 ->.<g id=\"edge22\n+00020ac0: 3322 2063 6c61 7373 3d22 6564 6765 223e 3\" class=\"edge\">\n+00020ad0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00020ae0: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00020af0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020b00: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+00020b10: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware..<\n+00020c10: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+00020c20: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+00020c30: 706f 696e 7473 3d22 3131 3539 2e39 332c points=\"1159.93,\n+00020c40: 2d39 3034 2e33 3220 3131 3530 2c2d 3930 -904.32 1150,-90\n+00020c50: 382e 3031 2031 3136 302e 3036 2c2d 3931 8.01 1160.06,-91\n+00020c60: 312e 3332 2031 3135 392e 3933 2c2d 3930 1.32 1159.93,-90\n+00020c70: 342e 3332 222f 3e0a 3c2f 673e 0a3c 212d 4.32\"/>...\n+00020cc0: 3c67 2069 643d 2265 6467 6532 3234 2220 .module_src_\n+00020cf0: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+00020d00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00020d10: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib....<\n+00020f50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00020f60: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+00020f70: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00020f80: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00020f90: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+00020fc0: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n+00020fd0: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+00020fe0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00020ff0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes...\n+00021160: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n+000211e0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+000211f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021200: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils......m\n+00021410: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021420: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+00021430: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021440: 6373 5f66 6674 3c2f 7469 746c 653e 0a3c cs_fft.<\n+00021450: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00021460: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00021470: 224d 3230 3132 2e32 362c 2d32 3133 2e38 \"M2012.26,-213.8\n+00021480: 3643 3231 3030 2e39 372c 2d32 3033 2e36 6C2100.97,-203.6\n+00021490: 3520 3233 3738 2e30 382c 2d31 3731 2e37 5 2378.08,-171.7\n+000214a0: 3620 3234 3737 2e35 362c 2d31 3630 2e33 6 2477.56,-160.3\n+000214b0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>..\n+00021520: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+00021590: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000215a0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+000215b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000215c0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+000215d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00021680: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+000216f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+00021760: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021770: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+00021780: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021790: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+000217a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n+000218f0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00021900: 6c64 2623 3435 3b26 6774 3b6d 6f64 756c ld->modul\n+00021910: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00021920: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm......mod\n+00021b20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021b30: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+00021b40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00021b50: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00021b60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+00021c30: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00021c40: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00021c50: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00021c60: 3131 3032 2e35 392c 2d38 3836 2e35 3120 1102.59,-886.51 \n+00021c70: 3131 3037 2e38 2c2d 3839 352e 3733 2031 1107.8,-895.73 1\n+00021c80: 3130 392e 3438 2c2d 3838 352e 3237 2031 109.48,-885.27 1\n+00021c90: 3130 322e 3539 2c2d 3838 362e 3531 222f 102.59,-886.51\"/\n+00021ca0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....m\n+00021fd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021fe0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+00021ff0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00022000: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00022010: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......mod\n+000221b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000221c0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+000221d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000221e0: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74 gromacs_mdrun</t\n+000221f0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00022200: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00022210: 7265 6422 2064 3d22 4d31 3131 392e 3731 red\" d=\"M1119.71\n+00022220: 2c2d 3430 302e 3839 4331 3034 382e 3934 ,-400.89C1048.94\n+00022230: 2c2d 3339 322e 3334 2039 3033 2e38 372c ,-392.34 903.87,\n+00022240: 2d33 3733 2e37 3320 3738 312e 3536 2c2d -373.73 781.56,-\n+00022250: 3335 372e 3232 2037 3637 2e39 2c2d 3335 357.22 767.9,-35\n+00022260: 352e 3338 2037 3533 2e30 362c 2d33 3533 5.38 753.06,-353\n+00022270: 2e33 3220 3733 392e 3836 2c2d 3335 312e .32 739.86,-351.\n+00022280: 3433 222f 3e0a 3c70 6f6c 7967 6f6e 2066 43\"/>.<polygon f\n+00022290: 696c 6c3d 2272 6564 2220 7374 726f 6b65 ill=\"red\" stroke\n+000222a0: 3d22 7265 6422 2070 6f69 6e74 733d 2237 =\"red\" points=\"7\n+000222b0: 3430 2e30 382c 2d33 3437 2e39 3220 3732 40.08,-347.92 72\n+000222c0: 392e 3638 2c2d 3334 392e 3934 2037 3339 9.68,-349.94 739\n+000222d0: 2e30 372c 2d33 3534 2e38 3520 3734 302e .07,-354.85 740.\n+000222e0: 3038 2c2d 3334 372e 3932 222f 3e0a 3c2f 08,-347.92\"/>.</\n+000222f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00022300: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00022310: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n+00022320: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00022330: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n+00022340: 2069 643d 2265 6467 6532 3236 2220 636c id=\"edge226\" cl\n+00022350: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00022360: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00022370: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00022380: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00022390: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000223a0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib....<\n+000224c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000224d0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+000224e0: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+000224f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+00022500: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->..m\n+00022530: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00022540: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+00022550: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00022560: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00022570: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n+00022640: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n+00022730: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n+00022740: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00022750: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib......modu\n+000229d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000229e0: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+000229f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022a00: 5f74 6162 6c65 733c 2f74 6974 6c65 3e0a _tables.\n+00022a10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+00022a90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+00022b50: 3c67 2069 643d 2265 6467 6532 3333 2220 .module_src_\n+00022b80: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+00022b90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00022ba0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00022bb0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modul\n+00022f60: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00022f70: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+00022f80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022f90: 6577 616c 643c 2f74 6974 6c65 3e0a 3c70 ewald......module_src_grom\n+000232e0: 6163 735f 656e 6572 6779 616e 616c 7973 acs_energyanalys\n+000232f0: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n+00023300: 655f 7372 635f 6772 6f6d 6163 735f 7374 e_src_gromacs_st\n+00023310: 6174 6973 7469 6373 3c2f 7469 746c 653e atistics\n+00023320: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+000233a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n+00023490: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000234a0: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n+000234b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000234c0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+000234d0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+000234e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n+00023730: 7372 635f 6772 6f6d 6163 735f 656e 6572 src_gromacs_ener\n+00023740: 6779 616e 616c 7973 6973 2623 3435 3b26 gyanalysis-&\n+00023750: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00023760: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469 omacs_gmxana</ti\n+00023770: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00023780: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00023790: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n+000237a0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000237b0: 3d22 4d32 3033 362e 3339 2c2d 3739 362e =\"M2036.39,-796.\n+000237c0: 3538 4331 3936 362e 3335 2c2d 3833 372e 58C1966.35,-837.\n+000237d0: 3232 2031 3733 332e 3537 2c2d 3937 322e 22 1733.57,-972.\n+000237e0: 3237 2031 3635 332e 3732 2c2d 3130 3138 27 1653.72,-1018\n+000237f0: 2e36 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .6\"/>.<polygon f\n+00023800: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n+00023810: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" 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2334 353b 2667 743b _fileio->\n+00023ef0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023f00: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00023f10: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00023f20: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+00023f30: 2220 643d 224d 3132 3538 2e38 322c 2d36 \" d=\"M1258.82,-6\n+00023f40: 3636 2e39 3643 3132 3330 2e30 332c 2d36 66.96C1230.03,-6\n+00023f50: 3736 2e30 3920 3131 3737 2e32 362c 2d36 76.09 1177.26,-6\n+00023f60: 3931 2e39 3320 3131 3332 2e35 362c 2d37 91.93 1132.56,-7\n+00023f70: 3037 2e35 3720 3131 3136 2e36 362c 2d37 07.57 1116.66,-7\n+00023f80: 3133 2e31 3320 3130 3230 2e36 372c 2d37 13.13 1020.67,-7\n+00023f90: 3530 2e38 3820 3936 362e 382c 2d37 3730 50.88 966.8,-770\n+00023fa0: 2e37 3322 2f3e 0a3c 706f 6c79 676f 6e20 .73\"/>.<polygon \n+00023fb0: 6669 6c6c 3d22 7265 6422 2073 7472 6f6b fill=\"red\" strok\n+00023fc0: 653d 2272 6564 2220 706f 696e 7473 3d22 e=\"red\" points=\"\n+00023fd0: 3936 352e 3436 2c2d 3736 372e 3520 3935 965.46,-767.5 95\n+00023fe0: 372e 3236 2c2d 3737 342e 3232 2039 3637 7.26,-774.22 967\n+00023ff0: 2e38 362c 2d37 3734 2e30 3720 3936 352e .86,-774.07 965.\n+00024000: 3436 2c2d 3736 372e 3522 2f3e 0a3c 2f67 46,-767.5\"/>.</g\n+00024010: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00024020: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00024030: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00024040: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00024050: 6c61 7273 696d 756c 6174 6f72 202d 2d3e larsimulator -->\n+00024060: 0a3c 6720 6964 3d22 6564 6765 3234 3822 .<g id=\"edge248\"\n+00024070: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00024080: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00024090: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n+000240a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000240b0: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n+000240c0: 6172 7369 6d75 6c61 746f 723c 2f74 6974 arsimulator</tit\n+000240d0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000240e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+000240f0: 6422 2064 3d22 4d31 3235 392e 3834 2c2d d\" d=\"M1259.84,-\n+00024100: 3634 382e 3637 4331 3234 322e 3038 2c2d 648.67C1242.08,-\n+00024110: 3633 392e 3639 2031 3231 362e 3233 2c2d 639.69 1216.23,-\n+00024120: 3632 352e 3234 2031 3139 372e 3137 2c2d 625.24 1197.17,-\n+00024130: 3631 332e 3738 222f 3e0a 3c70 6f6c 7967 613.78\"/>.<polyg\n+00024140: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+00024150: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+00024160: 733d 2231 3139 382e 3739 2c2d 3631 302e s=\"1198.79,-610.\n+00024170: 3637 2031 3138 382e 3433 2c2d 3630 382e 67 1188.43,-608.\n+00024180: 3434 2031 3139 352e 3134 2c2d 3631 362e 44 1195.14,-616.\n+00024190: 3634 2031 3139 382e 3739 2c2d 3631 302e 64 1198.79,-610.\n+000241a0: 3637 222f 3e0a 3c2f 673e 0a3c 212d 2d20 67\"/>.</g>.<!-- \n+000241b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000241c0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+000241d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000241e0: 6d61 6373 5f74 7261 6a65 6374 6f72 7920 macs_trajectory \n+000241f0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00024200: 3433 2220 636c 6173 733d 2265 6467 6522 43\" class=\"edge\"\n+00024210: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00024220: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+00024230: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+00024240: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00024250: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n+00024260: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+000243c0: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+000243d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000243e0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+000243f0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...\n+00024550: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+000245c0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+000245d0: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n+000245e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000245f0: 6d64 7370 616e 3c2f 7469 746c 653e 0a3c mdspan.<\n+00024600: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00024610: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00024620: 2220 643d 224d 3133 3036 2e36 392c 2d36 \" d=\"M1306.69,-6\n+00024630: 3536 2e38 3743 3133 3932 2e39 392c 2d36 56.87C1392.99,-6\n+00024640: 3535 2e36 3220 3136 3638 2e36 392c 2d36 55.62 1668.69,-6\n+00024650: 3438 2e35 3720 3138 3932 2e35 362c 2d36 48.57 1892.56,-6\n+00024660: 3038 2e37 2031 3939 342e 3336 2c2d 3539 08.7 1994.36,-59\n+00024670: 302e 3537 2032 3032 332e 3935 2c2d 3539 0.57 2023.95,-59\n+00024680: 312e 3832 2032 3131 362e 3536 2c2d 3534 1.82 2116.56,-54\n+00024690: 352e 3833 2032 3330 332e 342c 2d34 3533 5.83 2303.4,-453\n+000246a0: 2e30 3420 3234 3033 2e32 382c 2d31 3932 .04 2403.28,-192\n+000246b0: 2e38 3620 3234 3239 2e34 392c 2d31 3135 .86 2429.49,-115\n+000246c0: 2e33 3622 2f3e 0a3c 706f 6c79 676f 6e20 .36\"/>...<\n+00024740: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00024750: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+00024760: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00024770: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n+00024780: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n+000247b0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+000247c0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+000247d0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000247e0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......module_src_gro\n+00024a10: 6d61 6373 5f66 696c 6569 6f26 2334 353b macs_fileio-\n+00024a20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00024a30: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00024a40: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh.\n+00024ad0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n+00024b90: 6720 6964 3d22 6564 6765 3235 3522 2063 g id=\"edge255\" c\n+00024ba0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00024bc0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n+00024bd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00024be0: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00024bf0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+00024d90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024da0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+00024db0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00024dc0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00024dd0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00024de0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00024df0: 6662 6622 2064 3d22 4d38 3137 2e35 382c fbf\" d=\"M817.58,\n+00024e00: 2d35 3435 2e39 3643 3831 312e 362c 2d35 -545.96C811.6,-5\n+00024e10: 3535 2e34 3120 3830 312e 3631 2c2d 3536 55.41 801.61,-56\n+00024e20: 382e 3839 2037 3934 2e35 362c 2d35 3831 8.89 794.56,-581\n+00024e30: 2e38 3320 3733 372e 3139 2c2d 3638 372e .83 737.19,-687.\n+00024e40: 3138 2037 3138 2e37 322c 2d37 3135 2e34 18 718.72,-715.4\n+00024e50: 3220 3639 362e 3536 2c2d 3833 332e 3331 2 696.56,-833.31\n+00024e60: 2036 3839 2e31 392c 2d38 3732 2e35 3120 689.19,-872.51 \n+00024e70: 3637 352e 3036 2c2d 3838 392e 3436 2036 675.06,-889.46 6\n+00024e80: 3936 2e35 362c 2d39 3233 2e30 3520 3731 96.56,-923.05 71\n+00024e90: 302e 3239 2c2d 3934 342e 3531 2037 3336 0.29,-944.51 736\n+00024ea0: 2e32 312c 2d39 3536 2e35 3920 3735 372e .21,-956.59 757.\n+00024eb0: 3737 2c2d 3936 332e 3333 222f 3e0a 3c70 77,-963.33\"/>.<p\n+00024ec0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00024ed0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00024ee0: 6662 6662 6622 2070 6f69 6e74 733d 2237 fbfbf\" points=\"7\n+00024ef0: 3537 2e30 332c 2d39 3636 2e37 3620 3736 57.03,-966.76 76\n+00024f00: 372e 3631 2c2d 3936 362e 3134 2037 3538 7.61,-966.14 758\n+00024f10: 2e39 362c 2d39 3630 2e30 3320 3735 372e .96,-960.03 757.\n+00024f20: 3033 2c2d 3936 362e 3736 222f 3e0a 3c2f 03,-966.76\"/>.</\n+00024f30: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00024f40: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+00024f50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00024f60: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00024f70: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->.<g id=\"e\n+00024f80: 6467 6532 3531 2220 636c 6173 733d 2265 dge251\" class=\"e\n+00024f90: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00024fa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024fb0: 6e62 6e78 6d26 2334 353b 2667 743b 6d6f nbnxm->mo\n+00024fc0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024fd0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+00024fe0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+00025330: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+00025340: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00025350: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+00025360: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...\n+00025460: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+000254d0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+000254e0: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n+000254f0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+00025500: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec....\n+00025640: 0a3c 6720 6964 3d22 6564 6765 3235 3722 ..<\n+00025660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00025670: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+00025680: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025690: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n+000256a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n+00025890: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000258a0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n+000258b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000258c0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+000258d0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module_\n+00025a90: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+00025aa0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+00025ab0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00025ac0: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+00025ad0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n+00025cd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00025ce0: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00025cf0: 5f61 7768 2623 3435 3b26 6774 3b6d 6f64 _awh->mod\n+00025d00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025d10: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00025d20: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n+00025e50: 6720 6964 3d22 6564 6765 3236 3322 2063 g id=\"edge263\" c\n+00025e60: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00025e80: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00025e90: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n+00025ea0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00025eb0: 6d61 6373 5f74 7261 6a65 6374 6f72 793c macs_trajectory<\n+00025ec0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+00025f60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n+00026030: 0a3c 6720 6964 3d22 6564 6765 3236 3622 ..<\n+00026050: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00026060: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00026070: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n+00026080: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026090: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+000260a0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity....<\n+00026200: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00026210: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00026220: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n+00026230: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00026240: 6d61 6373 5f6d 6473 7061 6e20 2d2d 3e0a macs_mdspan -->.\n+00026250: 3c67 2069 643d 2265 6467 6532 3638 2220 .module_src_\n+00026280: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00026290: 666f 7263 6573 5f61 7768 2623 3435 3b26 forces_awh-&\n+000262a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000262b0: 6f6d 6163 735f 6d64 7370 616e 3c2f 7469 omacs_mdspan......module_src_gr\n+000264a0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+000264b0: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n+000264c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000264d0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib...\n+000266b0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_prog\n+00026ab0: 7261 6d73 5f6d 6472 756e 5f74 6573 7473 rams_mdrun_tests\n+00026ac0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00026ad0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n+00026ae0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modul\n+00026cc0: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n+00026cd0: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n+00026ce0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00026cf0: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware</\n+00026d00: 7469 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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.</p>\n <div class=\"dotgraph\">\n-<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3866\" height=\"1916\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n+<iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_module-deps.svg\" width=\"3916\" height=\"1664\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <h1><a class=\"anchor\" id=\"autotoc_md49\"></a>\n Legend</h1>\n <p>The graph below annotates the colors and line styles used in the module dependency graph above. More detailed textual annotation is below the graph.</p>\n <div class=\"dotgraph\">\n <iframe scrolling=\"no\" frameborder=\"0\" src=\"dot_inline_dotgraph_2.svg\" width=\"440\" height=\"407\"><p><b>This browser is not able to show SVG: try Firefox, Chrome, Safari, or Opera instead.</b></p></iframe></div>\n <p>Node colors: </p><dl>\n <dt>gray background </dt>\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/search/all_10.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -105,16 +105,16 @@\n ['makeperturbedlj14params_74', ['makePerturbedLJ14Params', ['../namespacegmx_1_1anonymous__namespace_02topsort_8cpp_03.xhtml#a219912ab4897d2bd79841029e509036f', 1, 'gmx::anonymous_namespace{topsort.cpp}']]],\n ['makeplan_75', ['makePlan', 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refid=\"cmdlineprogramcontext_8h\" kind=\"file\">\n <name>cmdlineprogramcontext.h</name>\n </compound>\n+ <compound refid=\"filenm_8cpp\" kind=\"file\">\n+ <name>filenm.cpp</name>\n+ <member refid=\"filenm_8cpp_1a74630e5294aa0d8475eed5bbb2e792e2\" kind=\"function\">\n+ <name>IS_SET</name>\n+ </member>\n+ <member refid=\"filenm_8cpp_1a039834546c27d6502ab9a1036f51f345\" kind=\"function\">\n+ <name>IS_OPT</name>\n+ </member>\n+ <member refid=\"filenm_8cpp_1a955fd44e0c07f5067aec48eeb0772786\" kind=\"function\">\n+ <name>getFileOption</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga990ead6deedaf9a5b815fd80a9d19ba5\" kind=\"function\">\n+ <name>opt2fn</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga5a3c05d87b57e0f284a7ff2862b0066e\" kind=\"function\">\n+ <name>opt2fns</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga17f3100eae46eee11b31ce769b2dda21\" kind=\"function\">\n+ <name>opt2fnsIfOptionSet</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gac6dd2ff1df2cd6a3d017e5c6307c9317\" kind=\"function\">\n+ <name>ftp2fn</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga59579cb605335276a9822c2c0b920749\" kind=\"function\">\n+ <name>ftp2fns</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga5565e3a4b910cf54ee4312511235a5dd\" kind=\"function\">\n+ <name>ftp2bSet</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gaeeff60cfe846f34b5f2c29d786bf125c\" kind=\"function\">\n+ <name>opt2bSet</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga56c49da2be2ec43896f0ecb08fab62e2\" kind=\"function\">\n+ <name>opt2fn_null</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga9b252e48aa2b9ffbe1dc40901b74617e\" kind=\"function\">\n+ <name>ftp2fn_null</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gabc17ec2d0b4109f2d29e4a2520d0282e\" kind=\"function\">\n+ <name>is_optional</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gae2216bbb9df4242659e874a92aeb7761\" kind=\"function\">\n+ <name>is_output</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gab1e903a76beecd97e435a9873a9271f6\" kind=\"function\">\n+ <name>is_set</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1ga571a096cfabe485318d242a08e35c746\" kind=\"function\">\n+ <name>hasSuffixFromNoAppend</name>\n+ </member>\n+ <member refid=\"group__module__commandline_1gaf48efa6fc3e0ba73fcca2634b991d481\" kind=\"function\">\n+ <name>add_suffix_to_output_names</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2filenm_8cpp\" kind=\"file\">\n+ <name>filenm.cpp</name>\n+ </compound>\n <compound refid=\"filenm_8h\" kind=\"file\">\n <name>filenm.h</name>\n <member refid=\"group__module__commandline_1ga2c4d042aa134c0ffb23a1553a335fc2c\" kind=\"define\">\n <name>ffSET</name>\n </member>\n <member refid=\"group__module__commandline_1ga329a4f1bb6cd80a0630547b0d027e24f\" kind=\"define\">\n <name>ffREAD</name>\n@@ -72977,76 +73016,37 @@\n </compound>\n <compound refid=\"cmdlinehelpmodule_8cpp\" kind=\"file\">\n <name>cmdlinehelpmodule.cpp</name>\n </compound>\n <compound refid=\"tests_2cmdlinehelpmodule_8cpp\" kind=\"file\">\n <name>cmdlinehelpmodule.cpp</name>\n </compound>\n+ <compound refid=\"cmdlinehelpwriter_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpwriter.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2cmdlinehelpwriter_8cpp\" kind=\"file\">\n+ <name>cmdlinehelpwriter.cpp</name>\n+ </compound>\n+ <compound refid=\"cmdlinemodulemanager_8cpp\" kind=\"file\">\n+ <name>cmdlinemodulemanager.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2cmdlinemodulemanager_8cpp\" kind=\"file\">\n+ <name>cmdlinemodulemanager.cpp</name>\n+ </compound>\n <compound refid=\"cmdlinemodulemanagertest_8cpp\" kind=\"file\">\n <name>cmdlinemodulemanagertest.cpp</name>\n </compound>\n <compound refid=\"cmdlinemodulemanagertest_8h\" kind=\"file\">\n <name>cmdlinemodulemanagertest.h</name>\n </compound>\n- <compound refid=\"filenm_8cpp\" kind=\"file\">\n- <name>filenm.cpp</name>\n- <member refid=\"filenm_8cpp_1a74630e5294aa0d8475eed5bbb2e792e2\" kind=\"function\">\n- <name>IS_SET</name>\n- </member>\n- <member refid=\"filenm_8cpp_1a039834546c27d6502ab9a1036f51f345\" kind=\"function\">\n- <name>IS_OPT</name>\n- </member>\n- <member refid=\"filenm_8cpp_1a955fd44e0c07f5067aec48eeb0772786\" kind=\"function\">\n- <name>getFileOption</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga990ead6deedaf9a5b815fd80a9d19ba5\" kind=\"function\">\n- <name>opt2fn</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga5a3c05d87b57e0f284a7ff2862b0066e\" kind=\"function\">\n- <name>opt2fns</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga17f3100eae46eee11b31ce769b2dda21\" kind=\"function\">\n- <name>opt2fnsIfOptionSet</name>\n- </member>\n- <member refid=\"group__module__commandline_1gac6dd2ff1df2cd6a3d017e5c6307c9317\" kind=\"function\">\n- <name>ftp2fn</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga59579cb605335276a9822c2c0b920749\" kind=\"function\">\n- <name>ftp2fns</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga5565e3a4b910cf54ee4312511235a5dd\" kind=\"function\">\n- <name>ftp2bSet</name>\n- </member>\n- <member refid=\"group__module__commandline_1gaeeff60cfe846f34b5f2c29d786bf125c\" kind=\"function\">\n- <name>opt2bSet</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga56c49da2be2ec43896f0ecb08fab62e2\" kind=\"function\">\n- <name>opt2fn_null</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga9b252e48aa2b9ffbe1dc40901b74617e\" kind=\"function\">\n- <name>ftp2fn_null</name>\n- </member>\n- <member refid=\"group__module__commandline_1gabc17ec2d0b4109f2d29e4a2520d0282e\" kind=\"function\">\n- <name>is_optional</name>\n- </member>\n- <member refid=\"group__module__commandline_1gae2216bbb9df4242659e874a92aeb7761\" kind=\"function\">\n- <name>is_output</name>\n- </member>\n- <member refid=\"group__module__commandline_1gab1e903a76beecd97e435a9873a9271f6\" kind=\"function\">\n- <name>is_set</name>\n- </member>\n- <member refid=\"group__module__commandline_1ga571a096cfabe485318d242a08e35c746\" kind=\"function\">\n- <name>hasSuffixFromNoAppend</name>\n- </member>\n- <member refid=\"group__module__commandline_1gaf48efa6fc3e0ba73fcca2634b991d481\" kind=\"function\">\n- <name>add_suffix_to_output_names</name>\n- </member>\n+ <compound refid=\"cmdlineparser_8cpp\" kind=\"file\">\n+ <name>cmdlineparser.cpp</name>\n </compound>\n- <compound refid=\"tests_2filenm_8cpp\" kind=\"file\">\n- <name>filenm.cpp</name>\n+ <compound refid=\"tests_2cmdlineparser_8cpp\" kind=\"file\">\n+ <name>cmdlineparser.cpp</name>\n </compound>\n <compound refid=\"viewit_8cpp\" kind=\"file\">\n <name>viewit.cpp</name>\n <member refid=\"viewit_8cpp_1a35dcced3082f4267c59916e2ca17eb9e\" kind=\"variable\">\n <name>canViewFileType</name>\n </member>\n <member refid=\"viewit_8cpp_1a82e08ef780c3b24b30693b5285f3a0b5\" kind=\"variable\">\n@@ -74540,14 +74540,41 @@\n <member refid=\"domdec__vsite_8h_1a18a06e62249715ed70a5b286f1dfe876\" kind=\"function\">\n <name>dd_make_local_vsites</name>\n </member>\n <member refid=\"domdec__vsite_8h_1a97b4e00d84f3059040e7ff20ce5715f1\" kind=\"function\">\n <name>init_domdec_vsites</name>\n </member>\n </compound>\n+ <compound refid=\"domdec_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ <member refid=\"domdec_2dump_8cpp_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n+ <name>write_dd_grid_pdb</name>\n+ </member>\n+ <member refid=\"domdec_2dump_8cpp_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n+ <name>write_dd_pdb</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tools_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ </compound>\n+ <compound refid=\"tools_2tests_2dump_8cpp\" kind=\"file\">\n+ <name>dump.cpp</name>\n+ </compound>\n+ <compound refid=\"domdec_2dump_8h\" kind=\"file\">\n+ <name>dump.h</name>\n+ <member refid=\"domdec_2dump_8h_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n+ <name>write_dd_grid_pdb</name>\n+ </member>\n+ <member refid=\"domdec_2dump_8h_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n+ <name>write_dd_pdb</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tools_2dump_8h\" kind=\"file\">\n+ <name>dump.h</name>\n+ </compound>\n <compound refid=\"ga2la_8cpp\" kind=\"file\">\n <name>ga2la.cpp</name>\n <member refid=\"ga2la_8cpp_1a8743daa1d64af916f994ad4261a2eb25\" kind=\"function\">\n <name>directListIsFaster</name>\n </member>\n </compound>\n <compound refid=\"ga2la_8h\" kind=\"file\">\n@@ -75008,26 +75035,26 @@\n </compound>\n <compound refid=\"src_2gromacs_2energyanalysis_2analysismodule_8h\" kind=\"file\">\n <name>analysismodule.h</name>\n </compound>\n <compound refid=\"energyanalysisframe_8h\" kind=\"file\">\n <name>energyanalysisframe.h</name>\n </compound>\n- <compound refid=\"energyterm_8h\" kind=\"file\">\n- <name>energyterm.h</name>\n- </compound>\n- <compound refid=\"ienergyanalysis_8h\" kind=\"file\">\n- <name>ienergyanalysis.h</name>\n- </compound>\n <compound refid=\"energyterm_8cpp\" kind=\"file\">\n <name>energyterm.cpp</name>\n </compound>\n <compound refid=\"tests_2energyterm_8cpp\" kind=\"file\">\n <name>energyterm.cpp</name>\n </compound>\n+ <compound refid=\"energyterm_8h\" kind=\"file\">\n+ <name>energyterm.h</name>\n+ </compound>\n+ <compound refid=\"ienergyanalysis_8h\" kind=\"file\">\n+ <name>ienergyanalysis.h</name>\n+ </compound>\n <compound refid=\"legacyenergy_8cpp\" kind=\"file\">\n <name>legacyenergy.cpp</name>\n </compound>\n <compound refid=\"edsam_8cpp\" kind=\"file\">\n <name>edsam.cpp</name>\n <member refid=\"edsam_8cpp_1acb231fba73f216d2ad019ca28ddc8d59\" kind=\"typedef\">\n <name>t_edpar</name>\n@@ -77003,14 +77030,41 @@\n </compound>\n <compound refid=\"calcgrid_8h\" kind=\"file\">\n <name>calcgrid.h</name>\n <member refid=\"calcgrid_8h_1a93c2f59abd0fbe468c5e51d8c3c9b9a8\" kind=\"function\">\n <name>calcFftGrid</name>\n </member>\n </compound>\n+ <compound refid=\"fft_8cpp\" kind=\"file\">\n+ <name>fft.cpp</name>\n+ <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n+ <name>gmx_many_fft_t</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n+ <name>gmx_fft_init_many_1d</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n+ <name>gmx_fft_init_many_1d_real</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n+ <name>gmx_fft_many_1d</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n+ <name>gmx_fft_many_1d_real</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n+ <name>gmx_many_fft_destroy</name>\n+ </member>\n+ <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n+ <name>gmx_fft_transpose_2d</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n+ <name>fft.cpp</name>\n+ </compound>\n <compound refid=\"fft_8h\" kind=\"file\">\n <name>fft.h</name>\n <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302\" kind=\"enum\">\n <name>gmx_fft_direction</name>\n </member>\n <member refid=\"fft_8h_1af2aa0b3a5f3a4339ecb2bd67cb8f8302a27ed3f7728bda473c6ebe5cb4cd56a3b\" kind=\"enumvalue\">\n <name>GMX_FFT_FORWARD</name>\n@@ -77423,41 +77477,14 @@\n <member refid=\"parallel__3dfft_8h_1a46ca74a372dea0058001b08ec0890da3\" kind=\"function\">\n <name>gmx_parallel_3dfft_execute</name>\n </member>\n <member refid=\"parallel__3dfft_8h_1af61c61ab4ac0d225adf0abf460e68fa8\" kind=\"function\">\n <name>gmx_parallel_3dfft_destroy</name>\n </member>\n </compound>\n- <compound refid=\"fft_8cpp\" kind=\"file\">\n- <name>fft.cpp</name>\n- <member refid=\"fft_8cpp_1a0480bd54f6694c0d4b6621c33cf67b89\" kind=\"typedef\">\n- <name>gmx_many_fft_t</name>\n- </member>\n- <member refid=\"fft_8cpp_1adce6d0b24710ceec9dad481b5210ebd8\" kind=\"function\">\n- <name>gmx_fft_init_many_1d</name>\n- </member>\n- <member refid=\"fft_8cpp_1adfd5fc4c5d44560a6fd3c07ce78bce6e\" kind=\"function\">\n- <name>gmx_fft_init_many_1d_real</name>\n- </member>\n- <member refid=\"fft_8cpp_1af722773aa9ec88a4984aed9d4c1820f5\" kind=\"function\">\n- <name>gmx_fft_many_1d</name>\n- </member>\n- <member refid=\"fft_8cpp_1ae96f00b2f99bc877a359185332216d8c\" kind=\"function\">\n- <name>gmx_fft_many_1d_real</name>\n- </member>\n- <member refid=\"fft_8cpp_1ade0d0b112bcb9ba359e5fc35944b5693\" kind=\"function\">\n- <name>gmx_many_fft_destroy</name>\n- </member>\n- <member refid=\"fft_8cpp_1a05cf1a5a8427f30bbbc35ccbf89128d7\" kind=\"function\">\n- <name>gmx_fft_transpose_2d</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2fft_8cpp\" kind=\"file\">\n- <name>fft.cpp</name>\n- </compound>\n <compound refid=\"fft__mpi_8cpp\" kind=\"file\">\n <name>fft_mpi.cpp</name>\n </compound>\n <compound refid=\"checkpoint_8h\" kind=\"file\">\n <name>checkpoint.h</name>\n <member refid=\"checkpoint_8h_1a825dd15142a6e46b9dec5e2710bf3572\" kind=\"define\">\n <name>GMX_IGNORE_FSYNC_FAILURE_ENV</name>\n@@ -79019,38 +79046,20 @@\n <member refid=\"md5_8h_1aef110c087a4e55838af70fb379d3f7c1\" kind=\"function\">\n <name>gmx_md5_append</name>\n </member>\n <member refid=\"md5_8h_1a21c99362bb92e38fe3703724a1581ff3\" kind=\"function\">\n <name>gmx_md5_finish</name>\n </member>\n </compound>\n- <compound refid=\"mrcdensitymap_8cpp\" kind=\"file\">\n- <name>mrcdensitymap.cpp</name>\n- </compound>\n- <compound refid=\"tests_2mrcdensitymap_8cpp\" kind=\"file\">\n- <name>mrcdensitymap.cpp</name>\n- </compound>\n <compound refid=\"mrcdensitymap_8h\" kind=\"file\">\n <name>mrcdensitymap.h</name>\n </compound>\n- <compound refid=\"mrcdensitymapheader_8cpp\" kind=\"file\">\n- <name>mrcdensitymapheader.cpp</name>\n- </compound>\n- <compound refid=\"tests_2mrcdensitymapheader_8cpp\" kind=\"file\">\n- <name>mrcdensitymapheader.cpp</name>\n- </compound>\n <compound refid=\"mrcdensitymapheader_8h\" kind=\"file\">\n <name>mrcdensitymapheader.h</name>\n </compound>\n- <compound refid=\"mrcserializer_8cpp\" kind=\"file\">\n- <name>mrcserializer.cpp</name>\n- </compound>\n- <compound refid=\"tests_2mrcserializer_8cpp\" kind=\"file\">\n- <name>mrcserializer.cpp</name>\n- </compound>\n <compound refid=\"mrcserializer_8h\" kind=\"file\">\n <name>mrcserializer.h</name>\n </compound>\n <compound refid=\"mtxio_8cpp\" kind=\"file\">\n <name>mtxio.cpp</name>\n <member refid=\"mtxio_8cpp_1a18f0084becc1437a3c8cc0d011b7fd43\" kind=\"define\">\n <name>GMX_MTXIO_MAGIC_NUMBER</name>\n@@ -79211,89 +79220,14 @@\n <member 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<name>print_transitions</name>\n+ </member>\n+ <member refid=\"gmx__chi_8cpp_1a1bb52bc2104e63d1b1e283f08e4eceec\" kind=\"function\">\n+ <name>order_params</name>\n+ </member>\n+ <member refid=\"gmx__chi_8cpp_1ad7fe7319f03eb4bb0dcbc068ed192ba3\" kind=\"function\">\n+ <name>gmx_chi</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n+ <name>gmx_chi.cpp</name>\n+ </compound>\n <compound refid=\"gmx__cluster_8cpp\" kind=\"file\">\n <name>gmx_cluster.cpp</name>\n <member refid=\"gmx__cluster_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n <name>NFILE</name>\n </member>\n <member refid=\"gmx__cluster_8cpp_1ab1ebaceed7153838a68b0577434e8718\" kind=\"function\">\n <name>lo_ffprintf</name>\n@@ -83372,47 +83465,14 @@\n <member refid=\"gmx__mdmat_8cpp_1aa58ab56e900d80063580282dd2acb397\" kind=\"function\">\n <name>tot_nmat</name>\n </member>\n <member refid=\"gmx__mdmat_8cpp_1a277b7f873129192b1f336a03676a3003\" kind=\"function\">\n 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<name>gmx_traj</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2gmx__traj_8cpp\" kind=\"file\">\n- <name>gmx_traj.cpp</name>\n- </compound>\n <compound refid=\"gmx__trjorder_8cpp\" kind=\"file\">\n <name>gmx_trjorder.cpp</name>\n <member refid=\"gmx__trjorder_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n <name>NFILE</name>\n </member>\n <member refid=\"gmx__trjorder_8cpp_1a1e1d8f7bb3007d1e6e33d2cf2941f42d\" kind=\"variable\">\n <name>order</name>\n@@ -84908,79 +84920,94 @@\n <member refid=\"sfactor_8h_1a0ad710f8cbbce0f21987cb3a76fbb92c\" kind=\"function\">\n <name>compute_scattering_factor_table</name>\n </member>\n </compound>\n <compound refid=\"entropy_8cpp\" kind=\"file\">\n <name>entropy.cpp</name>\n </compound>\n- <compound refid=\"gmx__chi_8cpp\" kind=\"file\">\n- <name>gmx_chi.cpp</name>\n- <member refid=\"gmx__chi_8cpp_1a4262b659dd03f71a3fd04e97851302d1\" kind=\"define\">\n- <name>INDEX</name>\n+ <compound refid=\"gmx__mindist_8cpp\" 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refid=\"gmx__chi_8cpp_1acd19d44a0a79750a2b1fd82ba9b61621\" kind=\"function\">\n- <name>copy_dih_data</name>\n+ <member refid=\"gmx__traj_8cpp_1a9999daa9afb3d451f89444c34867c216\" kind=\"function\">\n+ <name>write_trx_x</name>\n </member>\n- <member refid=\"gmx__chi_8cpp_1a3121412ce0ca63937f136cba9d4e516c\" kind=\"function\">\n- <name>dump_em_all</name>\n+ <member refid=\"gmx__traj_8cpp_1aef86e047c8c2036598a7f0317f7e9a37\" kind=\"function\">\n+ <name>make_legend</name>\n </member>\n- <member refid=\"gmx__chi_8cpp_1ac1c84a6e2b99dd4ebc8af263d1905011\" kind=\"function\">\n- <name>reset_one</name>\n+ <member refid=\"gmx__traj_8cpp_1a2cb475eba4645c7d933055c5bcf134be\" kind=\"function\">\n+ <name>ekrot</name>\n </member>\n- <member refid=\"gmx__chi_8cpp_1a793640d78cda35a9c6623db55e65fdfb\" kind=\"function\">\n- <name>reset_em_all</name>\n+ <member refid=\"gmx__traj_8cpp_1a8154fc26003a9194b37b338c3f860637\" kind=\"function\">\n+ <name>ektrans</name>\n </member>\n- <member 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refid=\"gmx__chi_8cpp_1a1bb52bc2104e63d1b1e283f08e4eceec\" kind=\"function\">\n- <name>order_params</name>\n+ <member refid=\"gmx__traj_8cpp_1a9ac1bfd2958d0100a3f23e07962565fc\" kind=\"function\">\n+ <name>print_histo</name>\n </member>\n- <member refid=\"gmx__chi_8cpp_1ad7fe7319f03eb4bb0dcbc068ed192ba3\" kind=\"function\">\n- <name>gmx_chi</name>\n+ <member refid=\"gmx__traj_8cpp_1adf81d84fbc02230037a2cd374fe1cef0\" kind=\"function\">\n+ <name>gmx_traj</name>\n </member>\n </compound>\n- <compound refid=\"tests_2gmx__chi_8cpp\" kind=\"file\">\n- <name>gmx_chi.cpp</name>\n+ <compound refid=\"tests_2gmx__traj_8cpp\" kind=\"file\">\n+ <name>gmx_traj.cpp</name>\n </compound>\n <compound refid=\"thermochemistry_8cpp\" kind=\"file\">\n <name>thermochemistry.cpp</name>\n <member refid=\"thermochemistry_8cpp_1a4b4d82b30eef307dec3de3fe3638c32a\" kind=\"function\">\n <name>eigval_to_frequency</name>\n </member>\n <member refid=\"thermochemistry_8cpp_1a094b8991b247289b362ebac6cedd4d95\" kind=\"function\">\n@@ -86012,32 +86039,14 @@\n </compound>\n <compound refid=\"gen__ad_8h\" kind=\"file\">\n <name>gen_ad.h</name>\n <member refid=\"gen__ad_8h_1a7d304e69a2060652b95d8a7fdf688d65\" kind=\"function\">\n <name>gen_pad</name>\n </member>\n </compound>\n- <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n- <name>gen_maxwell_velocities.cpp</name>\n- <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n- <name>low_mspeed</name>\n- </member>\n- <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n- <name>maxwell_speed</name>\n- </member>\n- <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n- <name>calc_cm</name>\n- </member>\n- <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n- <name>stop_cm</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n- <name>gen_maxwell_velocities.cpp</name>\n- </compound>\n <compound refid=\"gen__maxwell__velocities_8h\" kind=\"file\">\n <name>gen_maxwell_velocities.h</name>\n <member refid=\"gen__maxwell__velocities_8h_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n <name>maxwell_speed</name>\n </member>\n <member refid=\"gen__maxwell__velocities_8h_1afae4ed9c089423241f3c87c7ac5cc89b\" kind=\"function\">\n <name>stop_cm</name>\n@@ -86234,68 +86243,20 @@\n </compound>\n <compound refid=\"genhydro_8h\" kind=\"file\">\n <name>genhydro.h</name>\n <member refid=\"genhydro_8h_1a7cdba946c8b2e43fff174dfc3756f479\" kind=\"function\">\n <name>add_h</name>\n </member>\n </compound>\n- <compound refid=\"genion_8cpp\" kind=\"file\">\n- <name>genion.cpp</name>\n- <member refid=\"genion_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n- <name>NFILE</name>\n- </member>\n- <member 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<name>genrestr.h</name>\n <member refid=\"genrestr_8h_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n <name>gmx_genrestr</name>\n </member>\n </compound>\n <compound refid=\"gmxcpp_8cpp\" kind=\"file\">\n@@ -86792,20 +86753,14 @@\n </compound>\n <compound refid=\"makeexclusiondistances_8h\" kind=\"file\">\n <name>makeexclusiondistances.h</name>\n <member refid=\"makeexclusiondistances_8h_1ac6c1fd7ee9bb7cb224b1d7513b20c8d0\" kind=\"function\">\n <name>makeExclusionDistances</name>\n </member>\n </compound>\n- <compound refid=\"massrepartitioning_8cpp\" kind=\"file\">\n- <name>massrepartitioning.cpp</name>\n- </compound>\n- <compound refid=\"tests_2massrepartitioning_8cpp\" kind=\"file\">\n- <name>massrepartitioning.cpp</name>\n- </compound>\n <compound refid=\"massrepartitioning_8h\" kind=\"file\">\n <name>massrepartitioning.h</name>\n </compound>\n <compound refid=\"nm2type_8cpp\" kind=\"file\">\n <name>nm2type.cpp</name>\n <member refid=\"nm2type_8cpp_1a6b07e4871725dde4c716eb22b99d2231\" kind=\"define\">\n <name>prev</name>\n@@ -86858,20 +86813,14 @@\n </compound>\n <compound refid=\"notset_8h\" kind=\"file\">\n <name>notset.h</name>\n <member refid=\"notset_8h_1adfae5173b03012cdb3c83cdc45ae73ba\" kind=\"variable\">\n <name>NOTSET</name>\n </member>\n </compound>\n- <compound refid=\"pdb2gmx_8cpp\" kind=\"file\">\n- <name>pdb2gmx.cpp</name>\n- </compound>\n- <compound refid=\"tests_2pdb2gmx_8cpp\" kind=\"file\">\n- <name>pdb2gmx.cpp</name>\n- </compound>\n <compound refid=\"pdb2gmx_8h\" kind=\"file\">\n <name>pdb2gmx.h</name>\n </compound>\n <compound refid=\"pdb2top_8cpp\" kind=\"file\">\n <name>pdb2top.cpp</name>\n <member refid=\"pdb2top_8cpp_1ae74319edb8199e6356e5a4eb89b95093\" kind=\"define\">\n <name>NUM_CMAP_ATOMS</name>\n@@ -87041,161 +86990,14 @@\n <member refid=\"pgutil_8h_1a9c3f84c1ccfdcdab3c0254bfa986252e\" kind=\"function\">\n <name>search_atom</name>\n </member>\n <member 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<name>eshNONE</name>\n@@ -87488,14 +87290,32 @@\n <member refid=\"ter__db_8h_1af169aeff76251c88472edfbd83e9a4fe\" kind=\"function\">\n <name>filter_ter</name>\n </member>\n <member refid=\"ter__db_8h_1a55ce9712e17d4916742f198a941739ba\" kind=\"function\">\n <name>choose_ter</name>\n </member>\n </compound>\n+ <compound refid=\"gen__maxwell__velocities_8cpp\" kind=\"file\">\n+ <name>gen_maxwell_velocities.cpp</name>\n+ <member refid=\"gen__maxwell__velocities_8cpp_1a5809290568e3b21c2176d8fd3e4566fc\" kind=\"function\">\n+ <name>low_mspeed</name>\n+ </member>\n+ <member refid=\"gen__maxwell__velocities_8cpp_1a3f4beafad4452400388d429a2366d7df\" kind=\"function\">\n+ <name>maxwell_speed</name>\n+ </member>\n+ <member refid=\"gen__maxwell__velocities_8cpp_1a26166fde04e80ce17129038d97088a9e\" kind=\"function\">\n+ <name>calc_cm</name>\n+ </member>\n+ <member refid=\"gen__maxwell__velocities_8cpp_1ac1c6912fc346ec37b47dc02ae9a5c23a\" kind=\"function\">\n+ <name>stop_cm</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2gen__maxwell__velocities_8cpp\" kind=\"file\">\n+ <name>gen_maxwell_velocities.cpp</name>\n+ </compound>\n <compound refid=\"genconf_8cpp\" kind=\"file\">\n <name>genconf.cpp</name>\n <member refid=\"genconf_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n <name>NFILE</name>\n </member>\n <member refid=\"genconf_8cpp_1a22f27a20d6a7f343aa7298a4883864ab\" kind=\"function\">\n <name>rand_rot</name>\n@@ -87503,14 +87323,62 @@\n <member refid=\"genconf_8cpp_1a1871b9d701e329734f0bb8b82b16ab09\" kind=\"function\">\n <name>gmx_genconf</name>\n </member>\n </compound>\n <compound refid=\"tests_2genconf_8cpp\" kind=\"file\">\n <name>genconf.cpp</name>\n </compound>\n+ <compound refid=\"genion_8cpp\" kind=\"file\">\n+ <name>genion.cpp</name>\n+ <member refid=\"genion_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a34d5f00766619bdb7693dc6903c10a76\" kind=\"function\">\n+ <name>groupsCloserThanCutoffWithPbc</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a9620908c96f01a54de6801be59e81960\" kind=\"function\">\n+ <name>solventMoleculeIndices</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1ad0e4fca72d0601f69f79b1950ce02008\" kind=\"function\">\n+ <name>insert_ion</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a592b661f8e6a4fc3120cc7b459226a8f\" kind=\"function\">\n+ <name>aname</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a9ebc45f9635d35efc7b1d2fb36642330\" kind=\"function\">\n+ <name>sort_ions</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a0c1156ade60e4ab57ba686e75364f09f\" kind=\"function\">\n+ <name>update_topol</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a712596338c1cb9bbb5d950530125ed57\" kind=\"function\">\n+ <name>invertIndexGroup</name>\n+ </member>\n+ <member refid=\"genion_8cpp_1a0029a4995091766f1b6f8bc43a9545ae\" kind=\"function\">\n+ <name>gmx_genion</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2genion_8cpp\" kind=\"file\">\n+ <name>genion.cpp</name>\n+ </compound>\n+ <compound refid=\"genrestr_8cpp\" kind=\"file\">\n+ <name>genrestr.cpp</name>\n+ <member refid=\"genrestr_8cpp_1a991ca54733f8b2ab497f259dece78179\" kind=\"define\">\n+ <name>npargs</name>\n+ </member>\n+ <member refid=\"genrestr_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n+ <name>NFILE</name>\n+ </member>\n+ <member refid=\"genrestr_8cpp_1a7dd6a5abe3df85f079b33ae2f2fc0511\" kind=\"function\">\n+ <name>gmx_genrestr</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2genrestr_8cpp\" kind=\"file\">\n+ <name>genrestr.cpp</name>\n+ </compound>\n <compound refid=\"gpp__atomtype_8cpp\" kind=\"file\">\n <name>gpp_atomtype.cpp</name>\n <member refid=\"gpp__atomtype_8cpp_1a2ab48fac86e5c852d32e3b9703002843\" kind=\"function\">\n <name>search_atomtypes</name>\n </member>\n </compound>\n <compound refid=\"tests_2gpp__atomtype_8cpp\" kind=\"file\">\n@@ -87557,14 +87425,173 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<name>CHECK</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01e7e8b1522aadd9a794a472c5c7eadd\" kind=\"enum\">\n+ <name>GroupCoverage</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01e7e8b1522aadd9a794a472c5c7eaddab1c94ca2fbc3e78fc30069c8d0f01680\" kind=\"enumvalue\">\n+ <name>All</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01e7e8b1522aadd9a794a472c5c7eaddaae84db3dd0be7b0c0e40690e7f2f01e3\" kind=\"enumvalue\">\n+ <name>AllGenerateRest</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01e7e8b1522aadd9a794a472c5c7eadda44ffd38a6dea695cbe2b34efdcc6cf27\" kind=\"enumvalue\">\n+ <name>Partial</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01e7e8b1522aadd9a794a472c5c7eadda8925a15a1be6c2ce7739c3e769934a06\" kind=\"enumvalue\">\n+ <name>OneGroup</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a095c5151e70f0b902a7ca31158dfef58\" kind=\"variable\">\n+ <name>inputrecStrings</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1afcdd30c2fcef10eb4b7ce4968019f8be\" kind=\"variable\">\n+ <name>constraints</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ace2a857b0a5d370a27b31d41f4d323f2\" kind=\"variable\">\n+ <name>couple_lam</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a101b003105c7c18dbc2d1dadfc97b88a\" kind=\"function\">\n+ <name>init_inputrec_strings</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a58ce4e5a71a1602cc158a4ab420eed80\" kind=\"function\">\n+ <name>done_inputrec_strings</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a3880632f351f719c03730cecf9279852\" kind=\"function\">\n+ <name>getSimTemps</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ac7588cd87c90b3fc839ce0c746bb4b86\" kind=\"function\">\n+ <name>_low_check</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a6530a6b2d97918e449df4bab896d524d\" kind=\"function\">\n+ <name>check_nst</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1aa3ed0a882fdae06df5d1a8a7c3bc8a95\" kind=\"function\">\n+ <name>process_interaction_modifier</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a564c52ba799b5cb4cb917374007ae35e\" kind=\"function\">\n+ <name>check_ir</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1aa3094b21468b76ff4ff1b61d89699760\" kind=\"function\">\n+ <name>parse_n_real</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a00a62547753b302cbc1d8bd5ced2d506\" kind=\"function\">\n+ <name>do_fep_params</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a0126678f3833b0bd1e237f69e11affbe\" kind=\"function\">\n+ <name>do_simtemp_params</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a0cb005ccf93d8db0d7b1e6aefcb0ac04\" kind=\"function\">\n+ <name>convertInts</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a6b0a711848c9b6957fe6c1994593acb5\" kind=\"function\">\n+ <name>convertReals</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a456fb578f139f69f851d36ab37bf5c26\" kind=\"function\">\n+ <name>convertRvecs</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a51560d75f4698fd012a0933250e7a32b\" kind=\"function\">\n+ <name>do_wall_params</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a5a3d8a86d24dfad42424b07a50eec919\" kind=\"function\">\n+ <name>add_wall_energrps</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a75cce8a6a5696b3549308cd242528b9b\" kind=\"function\">\n+ <name>read_expandedparams</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ac7d6c2b17894ce76261d37694be08d78\" kind=\"function\">\n+ <name>couple_lambda_has_vdw_on</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a034fee8943493fd83138dd5296837ad2\" kind=\"function\">\n+ <name>get_ir</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a57503601755313c0c36161a3be1b0116\" kind=\"function\">\n+ <name>getGroupIndex</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1aa8ca292b8036779381652b581444e645\" kind=\"function\">\n+ <name>atomGroupRangeValidation</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1aa9253ae83496b0b536f8515d4c210eb9\" kind=\"function\">\n+ <name>do_numbering</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1aa6a9d768375934dd093273aa6a342654\" kind=\"function\">\n+ <name>calc_nrdf</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a0c4a68199dcfc3c2c95fceaf45b3ccde\" kind=\"function\">\n+ <name>do_egp_flag</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a7dd0a2d96cb84ce0df518f8381cada2c\" kind=\"function\">\n+ <name>make_swap_groups</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ae6446b64decbc6d72f679cb256a5f304\" kind=\"function\">\n+ <name>make_IMD_group</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a71301b84d343dc2e17c5e5c8d8223ece\" kind=\"function\">\n+ <name>checkAndUpdateVcmFreezeGroupConsistency</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a01cf70251d83de84c6480ec91427ffc6\" kind=\"function\">\n+ <name>processEnsembleTemperature</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a28be385030360300862c20cbb5aa5a97\" kind=\"function\">\n+ <name>do_index</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a4539b14f18a2d4f1b4101016677a8521\" kind=\"function\">\n+ <name>check_disre</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1abc73d031fe0a1d0673974103be1c0e9d\" kind=\"function\">\n+ <name>haveAbsoluteReference</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a5d6661cfefa9af6ac2f505c168897065\" kind=\"function\">\n+ <name>havePositionRestraints</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a886543fc1df3043b063e18f13bd58259\" kind=\"function\">\n+ <name>check_combination_rule_differences</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ace99067252d6fc34dd15591b89086b50\" kind=\"function\">\n+ <name>check_combination_rules</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a184cbea8948fddcc887a8f53dbb26745\" kind=\"function\">\n+ <name>allTrue</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a740971710293dc8210f397f02c37d5e2\" kind=\"function\">\n+ <name>checksForFepLambaLargerOne</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1ab51fae70bb01f29fe52444d7f6d70a20\" kind=\"function\">\n+ <name>triple_check</name>\n+ </member>\n+ <member refid=\"readir_8cpp_1a97b5704fec754d0bf98c4093c80263bb\" kind=\"function\">\n+ <name>double_check</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2readir_8cpp\" kind=\"file\">\n+ <name>readir.cpp</name>\n+ </compound>\n <compound refid=\"solvate_8cpp\" kind=\"file\">\n <name>solvate.cpp</name>\n <member refid=\"solvate_8cpp_1a8485f4e81de2537e6a0935626167a775\" kind=\"define\">\n <name>NFILE</name>\n </member>\n <member refid=\"solvate_8cpp_1a796ba2efb645a93a7eec5fe232fd6d23\" kind=\"function\">\n <name>sort_molecule</name>\n@@ -88826,14 +88853,20 @@\n <member refid=\"architecture_8h_1a965bb789642e63d96bbba0c303109a68\" kind=\"define\">\n <name>GMX_IS_X86_32</name>\n </member>\n <member refid=\"architecture_8h_1a5049871d3b2298b99b58e3663ee8cd49\" kind=\"define\">\n <name>GMX_IS_X86_64</name>\n </member>\n </compound>\n+ <compound refid=\"cpuinfo_8cpp\" kind=\"file\">\n+ <name>cpuinfo.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2cpuinfo_8cpp\" kind=\"file\">\n+ <name>cpuinfo.cpp</name>\n+ </compound>\n <compound refid=\"cpuinfo_8h\" kind=\"file\">\n <name>cpuinfo.h</name>\n </compound>\n <compound refid=\"detecthardware_8cpp\" kind=\"file\">\n <name>detecthardware.cpp</name>\n </compound>\n <compound refid=\"detecthardware_8h\" kind=\"file\">\n@@ -89207,20 +89240,14 @@\n </compound>\n <compound refid=\"device__management__sycl__intel__device__ids_8h\" kind=\"file\">\n <name>device_management_sycl_intel_device_ids.h</name>\n <member refid=\"device__management__sycl__intel__device__ids_8h_1a2b3ad5e0a211828bfa87c5f9202897e3\" kind=\"function\">\n <name>getIntelHardwareVersionFromPciExpressID</name>\n </member>\n </compound>\n- <compound refid=\"hardwaretopology_8cpp\" kind=\"file\">\n- <name>hardwaretopology.cpp</name>\n- </compound>\n- <compound refid=\"tests_2hardwaretopology_8cpp\" kind=\"file\">\n- <name>hardwaretopology.cpp</name>\n- </compound>\n <compound refid=\"hardwaretopology_8h\" kind=\"file\">\n <name>hardwaretopology.h</name>\n </compound>\n <compound refid=\"hw__info_8h\" kind=\"file\">\n <name>hw_info.h</name>\n <member refid=\"hw__info_8h_1afee8ef60917d00a72200cec9b191b413\" kind=\"enum\">\n <name>ThreadAffinity</name>\n@@ -89273,20 +89300,14 @@\n </compound>\n <compound refid=\"simd__support_8cpp\" kind=\"file\">\n <name>simd_support.cpp</name>\n </compound>\n <compound refid=\"simd__support_8h\" kind=\"file\">\n <name>simd_support.h</name>\n </compound>\n- <compound refid=\"cpuinfo_8cpp\" kind=\"file\">\n- <name>cpuinfo.cpp</name>\n- </compound>\n- <compound refid=\"tests_2cpuinfo_8cpp\" kind=\"file\">\n- <name>cpuinfo.cpp</name>\n- </compound>\n <compound refid=\"device__management_8cpp\" kind=\"file\">\n <name>device_management.cpp</name>\n <member refid=\"device__management_8cpp_1a0579937ac9ed3975d887a3d976d94899\" kind=\"function\">\n <name>findDevices</name>\n </member>\n <member refid=\"device__management_8cpp_1a2151c2e4fcc6447a9d753c00748b0aa0\" kind=\"function\">\n <name>setActiveDevice</name>\n@@ -89300,14 +89321,20 @@\n <member refid=\"device__management_8cpp_1a70b7a8e2b6c909a810b67bc62247949d\" kind=\"function\">\n <name>isDeviceDetectionFunctional</name>\n </member>\n </compound>\n <compound refid=\"tests_2device__management_8cpp\" kind=\"file\">\n <name>device_management.cpp</name>\n </compound>\n+ <compound refid=\"hardwaretopology_8cpp\" kind=\"file\">\n+ <name>hardwaretopology.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2hardwaretopology_8cpp\" kind=\"file\">\n+ <name>hardwaretopology.cpp</name>\n+ </compound>\n <compound refid=\"mockhardwaretopology_8cpp\" kind=\"file\">\n <name>mockhardwaretopology.cpp</name>\n </compound>\n <compound refid=\"imd_8cpp\" kind=\"file\">\n <name>imd.cpp</name>\n </compound>\n <compound refid=\"imd_8h\" kind=\"file\">\n@@ -89360,14 +89387,35 @@\n <member refid=\"eigensolver_8h_1a6fb958ce44e4b49c41a3570b933f780b\" kind=\"function\">\n <name>eigensolver</name>\n </member>\n <member refid=\"eigensolver_8h_1a422c179fa61a7c831067b68ba01b8a60\" kind=\"function\">\n <name>sparse_eigensolver</name>\n </member>\n </compound>\n+ <compound refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h\" kind=\"file\">\n+ <name>matrix.h</name>\n+ <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n+ <name>alloc_matrix</name>\n+ </member>\n+ <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n+ <name>free_matrix</name>\n+ </member>\n+ <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a3366d8822b3073d1a27f9fcb10cad13e\" kind=\"function\">\n+ <name>matrix_multiply</name>\n+ </member>\n+ <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n+ <name>matrix_invert</name>\n+ </member>\n+ <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a253ee896f7c8cbfda17ac3f0e830036c\" kind=\"function\">\n+ <name>multi_regression</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"math_2include_2gromacs_2math_2matrix_8h\" kind=\"file\">\n+ <name>matrix.h</name>\n+ </compound>\n <compound refid=\"sparsematrix_8h\" kind=\"file\">\n <name>sparsematrix.h</name>\n <member refid=\"sparsematrix_8h_1a2b51ea3dfb3cb75e18905650176bf439\" kind=\"typedef\">\n <name>gmx_sparsematrix_entry_t</name>\n </member>\n <member refid=\"sparsematrix_8h_1a850035e6887dc8390d16e2cee04b71f8\" kind=\"typedef\">\n <name>gmx_sparsematrix_t</name>\n@@ -89390,14 +89438,44 @@\n <member refid=\"sparsematrix_8h_1ac3c58041a48f0f821ef71da0d6fbe0fd\" kind=\"function\">\n <name>gmx_sparsematrix_compress</name>\n </member>\n <member refid=\"sparsematrix_8h_1ae3d30c00f680e4e669708d249ce9376f\" kind=\"function\">\n <name>gmx_sparsematrix_vector_multiply</name>\n </member>\n </compound>\n+ <compound refid=\"linearalgebra_2matrix_8cpp\" kind=\"file\">\n+ <name>matrix.cpp</name>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1acf3c0b0cb652c237d43ce39b2d3815a4\" kind=\"define\">\n+ <name>DEBUG_MATRIX</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n+ <name>alloc_matrix</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n+ <name>free_matrix</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1a3366d8822b3073d1a27f9fcb10cad13e\" kind=\"function\">\n+ <name>matrix_multiply</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1a301fd86f5c757d406ab71fbb64e5c5f3\" kind=\"function\">\n+ <name>dump_matrix</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n+ <name>matrix_invert</name>\n+ </member>\n+ <member refid=\"linearalgebra_2matrix_8cpp_1ab3c0d02d043027666ff462dac224fa88\" kind=\"function\">\n+ <name>multi_regression</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"math_2matrix_8cpp\" kind=\"file\">\n+ <name>matrix.cpp</name>\n+ </compound>\n+ <compound refid=\"math_2tests_2matrix_8cpp\" kind=\"file\">\n+ <name>matrix.cpp</name>\n+ </compound>\n <compound refid=\"sparsematrix_8cpp\" kind=\"file\">\n <name>sparsematrix.cpp</name>\n <member refid=\"sparsematrix_8cpp_1a3ccbcc8935483acb69e404bc01398004\" kind=\"function\">\n <name>gmx_sparsematrix_init</name>\n </member>\n <member refid=\"sparsematrix_8cpp_1ae1265238816409b751cd8b7b27068e48\" kind=\"function\">\n <name>gmx_sparsematrix_destroy</name>\n@@ -89672,47 +89750,35 @@\n <member refid=\"orires_8h_1a558c2a0b81d1976025f8f0efd51af375\" kind=\"function\">\n <name>print_orires_log</name>\n </member>\n <member refid=\"orires_8h_1ae3c8481da82a990b246b4ad54441b52f\" kind=\"function\">\n <name>orires</name>\n </member>\n </compound>\n- <compound refid=\"pairs_8cpp\" kind=\"file\">\n- <name>pairs.cpp</name>\n- <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n- <name>warning_rlimit</name>\n- </member>\n- <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n- <name>evaluate_single</name>\n- </member>\n- <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n- <name>sixthRoot</name>\n- </member>\n- <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n- <name>free_energy_evaluate_single</name>\n- </member>\n- <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n- <name>do_pairs_general</name>\n- </member>\n- <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n- <name>do_pairs_simple</name>\n- </member>\n- <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n- <name>do_pairs</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n- <name>pairs.cpp</name>\n- </compound>\n <compound refid=\"pairs_8h\" kind=\"file\">\n <name>pairs.h</name>\n <member refid=\"pairs_8h_1ace5a086b59154b99c7d2f5c4c91a4117\" kind=\"function\">\n <name>do_pairs</name>\n </member>\n </compound>\n+ <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n+ <name>position_restraints.cpp</name>\n+ <member refid=\"position__restraints_8cpp_1a58f967e206a57fa6e6396d8b533f898f\" kind=\"function\">\n+ <name>posres_wrapper</name>\n+ </member>\n+ <member refid=\"position__restraints_8cpp_1ace8b83a624153c4898d9d18c0f87e887\" kind=\"function\">\n+ <name>posres_wrapper_lambda</name>\n+ </member>\n+ <member refid=\"position__restraints_8cpp_1ad1fb8ef8087c4043854b6594915bede6\" kind=\"function\">\n+ <name>fbposres_wrapper</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2position__restraints_8cpp\" kind=\"file\">\n+ <name>position_restraints.cpp</name>\n+ </compound>\n <compound refid=\"position__restraints_8h\" kind=\"file\">\n <name>position_restraints.h</name>\n <member refid=\"position__restraints_8h_1a58f967e206a57fa6e6396d8b533f898f\" kind=\"function\">\n <name>posres_wrapper</name>\n </member>\n <member refid=\"position__restraints_8h_1ace8b83a624153c4898d9d18c0f87e887\" kind=\"function\">\n <name>posres_wrapper_lambda</name>\n@@ -89762,28 +89828,82 @@\n <member refid=\"bonded_8cpp_1abd8025bf61c1e8168c1b7c1505431cb9\" kind=\"function\">\n <name>nrnbIndex</name>\n </member>\n </compound>\n <compound refid=\"tests_2bonded_8cpp\" kind=\"file\">\n <name>bonded.cpp</name>\n </compound>\n- <compound refid=\"position__restraints_8cpp\" kind=\"file\">\n- <name>position_restraints.cpp</name>\n- <member refid=\"position__restraints_8cpp_1a58f967e206a57fa6e6396d8b533f898f\" kind=\"function\">\n- <name>posres_wrapper</name>\n+ <compound refid=\"pairs_8cpp\" kind=\"file\">\n+ <name>pairs.cpp</name>\n+ <member refid=\"pairs_8cpp_1a5d59a72498eb3a8759f974daa06fe37b\" kind=\"function\">\n+ <name>warning_rlimit</name>\n </member>\n- <member refid=\"position__restraints_8cpp_1ace8b83a624153c4898d9d18c0f87e887\" kind=\"function\">\n- <name>posres_wrapper_lambda</name>\n+ <member refid=\"pairs_8cpp_1a53338e7f9d3499aabdf8f25c6af5f238\" kind=\"function\">\n+ <name>evaluate_single</name>\n </member>\n- <member refid=\"position__restraints_8cpp_1ad1fb8ef8087c4043854b6594915bede6\" kind=\"function\">\n- <name>fbposres_wrapper</name>\n+ <member refid=\"pairs_8cpp_1a704d0afde3f20144d8996c787fe86420\" kind=\"function\">\n+ <name>sixthRoot</name>\n+ </member>\n+ <member refid=\"pairs_8cpp_1ae1ff92c6c49709262e401f3498499f2d\" kind=\"function\">\n+ <name>free_energy_evaluate_single</name>\n+ </member>\n+ <member refid=\"pairs_8cpp_1a593986c41a792f43a51528646a52f7af\" kind=\"function\">\n+ <name>do_pairs_general</name>\n+ </member>\n+ <member refid=\"pairs_8cpp_1addf0ef957e30aea59c4c50608f224e00\" kind=\"function\">\n+ <name>do_pairs_simple</name>\n+ </member>\n+ <member refid=\"pairs_8cpp_1a22308eced2305dcd0b36750636c6e8f6\" kind=\"function\">\n+ <name>do_pairs</name>\n </member>\n </compound>\n- <compound refid=\"tests_2position__restraints_8cpp\" kind=\"file\">\n- <name>position_restraints.cpp</name>\n+ <compound refid=\"tests_2pairs_8cpp\" kind=\"file\">\n+ <name>pairs.cpp</name>\n+ </compound>\n+ <compound refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h\" kind=\"file\">\n+ <name>utilities.h</name>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69\" kind=\"enum\">\n+ <name>MathOptimization</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ac6eea0560cd6f377e78dff2c85cc9122\" kind=\"enumvalue\">\n+ <name>Safe</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ad3d57868b6ff9839eff631d2cc8acbce\" kind=\"enumvalue\">\n+ <name>Unsafe</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n+ <name>gmx_within_tol</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n+ <name>gmx_numzero</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n+ <name>check_int_multiply_for_overflow</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n+ <name>gmx_feenableexcept</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n+ <name>gmx_fedisableexcept</name>\n+ </member>\n+ <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n+ <name>gmxShouldEnableFPExceptions</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"src_2gromacs_2listed__forces_2utilities_8h\" kind=\"file\">\n+ <name>utilities.h</name>\n+ <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1a02435a07d79c82f6d260d8a2dcc82b90\" kind=\"function\">\n+ <name>ftype_is_bonded_potential</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"src_2gromacs_2mimic_2utilities_8h\" kind=\"file\">\n+ <name>utilities.h</name>\n+ <member refid=\"src_2gromacs_2mimic_2utilities_8h_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n+ <name>genQmmmIndices</name>\n+ </member>\n </compound>\n <compound refid=\"3dtransforms_8cpp\" kind=\"file\">\n <name>3dtransforms.cpp</name>\n <member refid=\"3dtransforms_8cpp_1a0240ac851181b84ac374872dc5434ee4\" kind=\"define\">\n <name>N</name>\n </member>\n <member refid=\"3dtransforms_8cpp_1aba548083baf78d5645b0f083def8658c\" kind=\"function\">\n@@ -89807,26 +89927,14 @@\n <member refid=\"3dtransforms_8cpp_1a5644ccc2ea40e66febf9c9d9a080f835\" kind=\"function\">\n <name>gmx_mat4_print</name>\n </member>\n <member refid=\"3dtransforms_8cpp_1a756743e383efb2ae716f895fe3ea1e3d\" kind=\"function\">\n <name>gmx_vec4_print</name>\n </member>\n </compound>\n- <compound refid=\"densityfit_8cpp\" kind=\"file\">\n- <name>densityfit.cpp</name>\n- </compound>\n- <compound refid=\"tests_2densityfit_8cpp\" kind=\"file\">\n- <name>densityfit.cpp</name>\n- </compound>\n- <compound refid=\"densityfittingforce_8cpp\" kind=\"file\">\n- <name>densityfittingforce.cpp</name>\n- </compound>\n- <compound refid=\"tests_2densityfittingforce_8cpp\" kind=\"file\">\n- <name>densityfittingforce.cpp</name>\n- </compound>\n <compound refid=\"do__fit_8cpp\" kind=\"file\">\n <name>do_fit.cpp</name>\n <member refid=\"do__fit_8cpp_1a72004668f43132352d867a0e13c7032e\" kind=\"function\">\n <name>calc_similar_ind</name>\n </member>\n <member refid=\"do__fit_8cpp_1a78414cbcd1429af54a6c046b1f106e75\" kind=\"function\">\n <name>rmsdev_ind</name>\n@@ -89852,14 +89960,20 @@\n <member refid=\"do__fit_8cpp_1a8b81550df594bffb9e3e65cf604c9267\" kind=\"function\">\n <name>reset_x_ndim</name>\n </member>\n <member refid=\"do__fit_8cpp_1a93bccc9720b471d0a9cd62ed72a970ac\" kind=\"function\">\n <name>reset_x</name>\n </member>\n </compound>\n+ <compound refid=\"functions_8cpp\" kind=\"file\">\n+ <name>functions.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n+ <name>functions.cpp</name>\n+ </compound>\n <compound refid=\"3dtransforms_8h\" kind=\"file\">\n <name>3dtransforms.h</name>\n <member refid=\"3dtransforms_8h_1a7cd92fc1ac4aeb2dc1d8e50bf61e661e\" kind=\"define\">\n <name>WW</name>\n </member>\n <member refid=\"3dtransforms_8h_1a6a41fa5ed8bfdf8468a9554d6b1f450c\" kind=\"typedef\">\n <name>vec4</name>\n@@ -89945,35 +90059,14 @@\n <member refid=\"gmxcomplex_8h_1ad8d5bc18b3599b394fa4d69c92268ff6\" kind=\"function\">\n <name>operator!=</name>\n </member>\n </compound>\n <compound refid=\"invertmatrix_8h\" kind=\"file\">\n <name>invertmatrix.h</name>\n </compound>\n- <compound refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h\" kind=\"file\">\n- <name>matrix.h</name>\n- <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n- <name>alloc_matrix</name>\n- </member>\n- <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n- <name>free_matrix</name>\n- </member>\n- <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a3366d8822b3073d1a27f9fcb10cad13e\" kind=\"function\">\n- <name>matrix_multiply</name>\n- </member>\n- <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1abcb389e19d7cf19cf151c6cfb9c5074b\" kind=\"function\">\n- <name>matrix_invert</name>\n- </member>\n- <member refid=\"linearalgebra_2include_2gromacs_2linearalgebra_2matrix_8h_1a253ee896f7c8cbfda17ac3f0e830036c\" kind=\"function\">\n- <name>multi_regression</name>\n- </member>\n- </compound>\n- <compound refid=\"math_2include_2gromacs_2math_2matrix_8h\" kind=\"file\">\n- <name>matrix.h</name>\n- </compound>\n <compound refid=\"multidimarray_8h\" kind=\"file\">\n <name>multidimarray.h</name>\n </compound>\n <compound refid=\"neldermead_8h\" kind=\"file\">\n <name>neldermead.h</name>\n </compound>\n <compound refid=\"nrjac_8h\" kind=\"file\">\n@@ -90026,19 +90119,19 @@\n <member refid=\"vecdump_8h_1a20c481daf293d46e5c14e923db682111\" kind=\"function\">\n <name>pr_dvec</name>\n </member>\n <member refid=\"vecdump_8h_1a6d924c37256aba65e5067df0647d6a65\" kind=\"function\">\n <name>pr_rvecs</name>\n </member>\n </compound>\n- <compound refid=\"invertmatrix_8cpp\" kind=\"file\">\n- <name>invertmatrix.cpp</name>\n+ <compound refid=\"neldermead_8cpp\" kind=\"file\">\n+ <name>neldermead.cpp</name>\n </compound>\n- <compound refid=\"tests_2invertmatrix_8cpp\" kind=\"file\">\n- <name>invertmatrix.cpp</name>\n+ <compound refid=\"tests_2neldermead_8cpp\" kind=\"file\">\n+ <name>neldermead.cpp</name>\n </compound>\n <compound refid=\"nrjac_8cpp\" kind=\"file\">\n <name>nrjac.cpp</name>\n <member refid=\"nrjac_8cpp_1a6d6cb647c2567a5697787f3220473eb1\" kind=\"function\">\n <name>do_rotate</name>\n </member>\n <member refid=\"nrjac_8cpp_1ae0b8142935e3a21104a6a44011de071b\" kind=\"function\">\n@@ -90068,83 +90161,86 @@\n </compound>\n <compound refid=\"coordinatetransformation_8cpp\" kind=\"file\">\n <name>coordinatetransformation.cpp</name>\n </compound>\n <compound refid=\"tests_2coordinatetransformation_8cpp\" kind=\"file\">\n <name>coordinatetransformation.cpp</name>\n </compound>\n+ <compound refid=\"densityfit_8cpp\" kind=\"file\">\n+ <name>densityfit.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2densityfit_8cpp\" kind=\"file\">\n+ <name>densityfit.cpp</name>\n+ </compound>\n+ <compound refid=\"densityfittingforce_8cpp\" kind=\"file\">\n+ <name>densityfittingforce.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2densityfittingforce_8cpp\" kind=\"file\">\n+ <name>densityfittingforce.cpp</name>\n+ </compound>\n <compound refid=\"dofit_8cpp\" kind=\"file\">\n <name>dofit.cpp</name>\n </compound>\n <compound refid=\"exponentialmovingaverage_8cpp\" kind=\"file\">\n <name>exponentialmovingaverage.cpp</name>\n </compound>\n <compound refid=\"tests_2exponentialmovingaverage_8cpp\" kind=\"file\">\n <name>exponentialmovingaverage.cpp</name>\n </compound>\n- <compound refid=\"functions_8cpp\" kind=\"file\">\n- <name>functions.cpp</name>\n- </compound>\n- <compound refid=\"tests_2functions_8cpp\" kind=\"file\">\n- <name>functions.cpp</name>\n- </compound>\n <compound refid=\"gausstransform_8cpp\" kind=\"file\">\n <name>gausstransform.cpp</name>\n </compound>\n <compound refid=\"tests_2gausstransform_8cpp\" kind=\"file\">\n <name>gausstransform.cpp</name>\n </compound>\n- <compound refid=\"linearalgebra_2matrix_8cpp\" kind=\"file\">\n- <name>matrix.cpp</name>\n- <member refid=\"linearalgebra_2matrix_8cpp_1acf3c0b0cb652c237d43ce39b2d3815a4\" kind=\"define\">\n- <name>DEBUG_MATRIX</name>\n- </member>\n- <member refid=\"linearalgebra_2matrix_8cpp_1ac5f4dfe020d9a79c3306a3aab9ad95c2\" kind=\"function\">\n- <name>alloc_matrix</name>\n- </member>\n- <member refid=\"linearalgebra_2matrix_8cpp_1a396c68ee4563c130a29485fafe1bb42c\" kind=\"function\">\n- <name>free_matrix</name>\n- </member>\n- <member refid=\"linearalgebra_2matrix_8cpp_1a3366d8822b3073d1a27f9fcb10cad13e\" kind=\"function\">\n- <name>matrix_multiply</name>\n- </member>\n- <member refid=\"linearalgebra_2matrix_8cpp_1a301fd86f5c757d406ab71fbb64e5c5f3\" kind=\"function\">\n- 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</member>\n+ <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n+ <name>gmx_fedisableexcept</name>\n+ </member>\n+ <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n+ <name>gmxShouldEnableFPExceptions</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n+ <name>utilities.cpp</name>\n+ <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n+ <name>genQmmmIndices</name>\n+ </member>\n+ </compound>\n <compound refid=\"veccompare_8cpp\" kind=\"file\">\n <name>veccompare.cpp</name>\n <member refid=\"veccompare_8cpp_1ae27124dcd6fe8e6cc479ae0ab2644aa5\" kind=\"function\">\n <name>cmp_rvec</name>\n </member>\n <member refid=\"veccompare_8cpp_1a71e1fe8691ac0a2699056945920ad5c8\" kind=\"function\">\n <name>cmp_ivec</name>\n@@ -90233,14 +90329,107 @@\n <member refid=\"broadcaststructs_8h_1aefd2d9c9c9ad1cce4592e32e1f72b996\" kind=\"function\">\n <name>broadcastStateWithoutDynamics</name>\n </member>\n <member refid=\"broadcaststructs_8h_1a6beb7499688c2aa6ac815f444d38cb21\" kind=\"function\">\n <name>init_parallel</name>\n </member>\n </compound>\n+ <compound refid=\"calc__verletbuf_8cpp\" kind=\"file\">\n+ <name>calc_verletbuf.cpp</name>\n+ <member refid=\"calc__verletbuf_8cpp_1a8060cd926c4ce5b433662157528580ff\" kind=\"function\">\n+ <name>verletbufGetListSetup</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1aaced48d57de6edd8279b2365fea049b9\" kind=\"function\">\n+ <name>verletbufGetSafeListSetup</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a6bcdbe0120e201805439088057ea282e\" kind=\"function\">\n+ <name>getMass</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a7562074483c004febb4e0f519144f148\" kind=\"function\">\n+ <name>get_vsite_masses</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a8ac98babc116242be4f1ca2773f07da2\" kind=\"function\">\n+ <name>getResolutions</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a80fa8c036972a430e0d1c4a94f241c4f\" kind=\"function\">\n+ <name>getVerletBufferAtomtypes</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a61b371314f4c2d1e944c3b7ed70a4e93\" kind=\"function\">\n+ <name>constrained_atom_sigma2</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a8daf94767412f5525109e64aa6211743\" kind=\"function\">\n+ <name>get_atom_sigma2</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a82dd40cdde1d2abdefa7b3eed5927659\" kind=\"function\">\n+ <name>approx_2dof</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a49078497ab9aebe4da39991d85bedf4f\" kind=\"function\">\n+ <name>energyDriftAtomPair</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a4d60188eae5bdb1ccde380f93e532066\" kind=\"function\">\n+ <name>energyDrift</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a9ac48fa8c251b73fc69bde82d0d9a81f\" kind=\"function\">\n+ <name>surface_frac</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1ab0ecf002e55ccbe0049c0602ca230d0c\" kind=\"function\">\n+ <name>md3_force_switch</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a17ea0a4be1d43f8c61728b3ef6296cd8\" kind=\"function\">\n+ <name>getVdwDerivatives</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1ac88ec41d3ad19a8e1866d8da4279461e\" kind=\"function\">\n+ <name>getElecDerivatives</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a4a6f30aeac8df69a9e440e0ccb946204\" kind=\"function\">\n+ <name>displacementVariance</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a5039284f0b4844347d91e703dd2cba7e\" kind=\"function\">\n+ <name>maxSigma</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a7115995a0a681c6b01af57e4439c6a7d\" kind=\"function\">\n+ <name>computeEffectiveAtomDensity</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a1217d3ce71cde843e4faef51d0d08700\" kind=\"function\">\n+ <name>computeEffectiveAtomDensity</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a4624143f4e06669a7a956eeb38f8094f\" kind=\"function\">\n+ <name>getForceDerivatives</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1ac6d056596f1f05ec04e1a674afece80b\" kind=\"function\">\n+ <name>pressureError</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a2e110e015eba3d6d4e9ce3c53d67fe2c\" kind=\"function\">\n+ <name>calcVerletBufferSize</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a1a97c568437252f618967eaf4e12b4f7\" kind=\"function\">\n+ <name>verletBufferPressureError</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a19fb25325e02e2ca7fe68def3ff3d0b7\" kind=\"function\">\n+ <name>minCellSizeFromPairlistBuffer</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a914ae8d39693851dbe4fc01f592ff025\" kind=\"function\">\n+ <name>chanceOfAtomCrossingCell</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1afb5a347eacec4f2b978780acc5f1c4fb\" kind=\"function\">\n+ <name>getAtomConstraintProps</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a3653f50ffb4edc580a729786625c04d1\" kind=\"function\">\n+ <name>chanceOfUpdateGroupCrossingCell</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a3e75a3574322fe4016e9ba9a43baf3d4\" kind=\"function\">\n+ <name>chanceOfUpdateGroupCrossingCell</name>\n+ </member>\n+ <member refid=\"calc__verletbuf_8cpp_1a9a05b6ec12bf1576a3d79072c3c06e0a\" kind=\"function\">\n+ <name>minCellSizeForAtomDisplacement</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2calc__verletbuf_8cpp\" kind=\"file\">\n+ <name>calc_verletbuf.cpp</name>\n+ </compound>\n <compound refid=\"calc__verletbuf_8h\" kind=\"file\">\n <name>calc_verletbuf.h</name>\n <member refid=\"calc__verletbuf_8h_1a9c18a7e4ee3a4b8abe9cbc1c7f07e482\" kind=\"enum\">\n <name>ChanceTarget</name>\n </member>\n <member refid=\"calc__verletbuf_8h_1a9c18a7e4ee3a4b8abe9cbc1c7f07e482a0d218a68afe0e679a14afc704d6e0fba\" kind=\"enumvalue\">\n <name>Atom</name>\n@@ -90329,23 +90518,14 @@\n </compound>\n <compound refid=\"compute__io_8h\" kind=\"file\">\n <name>compute_io.h</name>\n <member refid=\"compute__io_8h_1ac44fb3c3a9f9bf8afe999a07ce96744a\" kind=\"function\">\n <name>compute_io</name>\n </member>\n </compound>\n- <compound refid=\"constr_8cpp\" kind=\"file\">\n- <name>constr.cpp</name>\n- </compound>\n- <compound refid=\"tests_2constr_8cpp\" kind=\"file\">\n- <name>constr.cpp</name>\n- <member refid=\"tests_2constr_8cpp_1ad8707751bcf9b7561997be4d4509f919\" kind=\"function\">\n- <name>PrintTo</name>\n- </member>\n- </compound>\n <compound refid=\"constr_8h\" kind=\"file\">\n <name>constr.h</name>\n </compound>\n <compound refid=\"constraint__gpu__helpers_8cpp\" kind=\"file\">\n <name>constraint_gpu_helpers.cpp</name>\n <member refid=\"constraint__gpu__helpers_8cpp_1a6cb3e46b6ba05adadfd76ac220f37227\" kind=\"function\">\n <name>countCoupled</name>\n@@ -90635,44 +90815,14 @@\n <member refid=\"dispersioncorrection_8cpp_1ad9d13cef20a7aff241e7f2bbd788b651\" kind=\"function\">\n <name>addCorrectionBeyondCutoff</name>\n </member>\n </compound>\n <compound refid=\"dispersioncorrection_8h\" kind=\"file\">\n <name>dispersioncorrection.h</name>\n </compound>\n- <compound refid=\"ebin_8cpp\" kind=\"file\">\n- <name>ebin.cpp</name>\n- <member refid=\"ebin_8cpp_1ac12bac52fd1d34d837270bb685da4362\" kind=\"function\">\n- <name>mk_ebin</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a34e4fcb6892846757e2d0696150b9868\" kind=\"function\">\n- <name>done_ebin</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a8ce9fb2bc0ff647e46e27004f15d37d8\" kind=\"function\">\n- <name>get_ebin_space</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a0d2f222119cf01dde362e73e8cab24cc\" kind=\"function\">\n- <name>add_ebin</name>\n- </member>\n- <member refid=\"ebin_8cpp_1aabfff7a7974e7cd2510d218026ad7763\" kind=\"function\">\n- <name>add_ebin_indexed</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a5a9a1c3a2803bfb618c59ba80a483eb8\" kind=\"function\">\n- <name>ebin_increase_count</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a9dccf9e8847ae2b7c90f1757f181edd3\" kind=\"function\">\n- <name>reset_ebin_sums</name>\n- </member>\n- <member refid=\"ebin_8cpp_1a0e53b24a8f43d4ca9afcee637a2bf66a\" kind=\"function\">\n- <name>pr_ebin</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n- <name>ebin.cpp</name>\n- </compound>\n <compound refid=\"ebin_8h\" kind=\"file\">\n <name>ebin.h</name>\n <member refid=\"ebin_8h_1afa231099d07583c3ed0981e0bb665f55\" kind=\"enum\">\n <name/>\n </member>\n <member refid=\"ebin_8h_1afa231099d07583c3ed0981e0bb665f55a8da1c819aa64a4dbd298ee88c4d1a013\" kind=\"enumvalue\">\n <name>eprNORMAL</name>\n@@ -90749,14 +90899,20 @@\n <member refid=\"enerdata__utils_8h_1ad0e7876c7fe21f32738a4d4b0674428f\" kind=\"function\">\n <name>accumulatePotentialEnergies</name>\n </member>\n <member refid=\"enerdata__utils_8h_1a0ef9689c928727407b033c5ae1a1eea1\" kind=\"function\">\n <name>accumulateKineticLambdaComponents</name>\n </member>\n </compound>\n+ <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n+ <name>energydrifttracker.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n+ <name>energydrifttracker.cpp</name>\n+ </compound>\n <compound refid=\"energydrifttracker_8h\" kind=\"file\">\n <name>energydrifttracker.h</name>\n </compound>\n <compound refid=\"energyoutput_8h\" kind=\"file\">\n <name>energyoutput.h</name>\n <member refid=\"energyoutput_8h_1a394b3903fbf00ba2b6243f60689a5a5f\" kind=\"enum\">\n <name/>\n@@ -91673,20 +91829,14 @@\n </compound>\n <compound refid=\"rf__util_8h\" kind=\"file\">\n <name>rf_util.h</name>\n <member refid=\"rf__util_8h_1a7e4d9d918fa6980395ed408489a9134c\" kind=\"function\">\n <name>calc_rffac</name>\n </member>\n </compound>\n- <compound refid=\"settle_8cpp\" kind=\"file\">\n- <name>settle.cpp</name>\n- </compound>\n- <compound refid=\"tests_2settle_8cpp\" kind=\"file\">\n- <name>settle.cpp</name>\n- </compound>\n <compound refid=\"settle_8h\" kind=\"file\">\n <name>settle.h</name>\n </compound>\n <compound refid=\"settle__gpu_8cpp\" kind=\"file\">\n <name>settle_gpu.cpp</name>\n </compound>\n <compound refid=\"settle__gpu_8h\" kind=\"file\">\n@@ -91955,107 +92105,14 @@\n </compound>\n <compound refid=\"stophandler_8cpp\" kind=\"file\">\n <name>stophandler.cpp</name>\n </compound>\n <compound refid=\"stophandler_8h\" kind=\"file\">\n <name>stophandler.h</name>\n </compound>\n- <compound refid=\"calc__verletbuf_8cpp\" kind=\"file\">\n- <name>calc_verletbuf.cpp</name>\n- <member refid=\"calc__verletbuf_8cpp_1a8060cd926c4ce5b433662157528580ff\" kind=\"function\">\n- <name>verletbufGetListSetup</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1aaced48d57de6edd8279b2365fea049b9\" kind=\"function\">\n- <name>verletbufGetSafeListSetup</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a6bcdbe0120e201805439088057ea282e\" kind=\"function\">\n- <name>getMass</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a7562074483c004febb4e0f519144f148\" kind=\"function\">\n- <name>get_vsite_masses</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a8ac98babc116242be4f1ca2773f07da2\" kind=\"function\">\n- <name>getResolutions</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a80fa8c036972a430e0d1c4a94f241c4f\" kind=\"function\">\n- <name>getVerletBufferAtomtypes</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a61b371314f4c2d1e944c3b7ed70a4e93\" kind=\"function\">\n- <name>constrained_atom_sigma2</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a8daf94767412f5525109e64aa6211743\" kind=\"function\">\n- <name>get_atom_sigma2</name>\n- </member>\n- <member 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refid=\"calc__verletbuf_8cpp_1a4a6f30aeac8df69a9e440e0ccb946204\" kind=\"function\">\n- <name>displacementVariance</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a5039284f0b4844347d91e703dd2cba7e\" kind=\"function\">\n- <name>maxSigma</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a7115995a0a681c6b01af57e4439c6a7d\" kind=\"function\">\n- <name>computeEffectiveAtomDensity</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a1217d3ce71cde843e4faef51d0d08700\" kind=\"function\">\n- <name>computeEffectiveAtomDensity</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a4624143f4e06669a7a956eeb38f8094f\" kind=\"function\">\n- <name>getForceDerivatives</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1ac6d056596f1f05ec04e1a674afece80b\" kind=\"function\">\n- <name>pressureError</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a2e110e015eba3d6d4e9ce3c53d67fe2c\" kind=\"function\">\n- <name>calcVerletBufferSize</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a1a97c568437252f618967eaf4e12b4f7\" kind=\"function\">\n- <name>verletBufferPressureError</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a19fb25325e02e2ca7fe68def3ff3d0b7\" kind=\"function\">\n- <name>minCellSizeFromPairlistBuffer</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a914ae8d39693851dbe4fc01f592ff025\" kind=\"function\">\n- <name>chanceOfAtomCrossingCell</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1afb5a347eacec4f2b978780acc5f1c4fb\" kind=\"function\">\n- <name>getAtomConstraintProps</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a3653f50ffb4edc580a729786625c04d1\" kind=\"function\">\n- <name>chanceOfUpdateGroupCrossingCell</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a3e75a3574322fe4016e9ba9a43baf3d4\" kind=\"function\">\n- <name>chanceOfUpdateGroupCrossingCell</name>\n- </member>\n- <member refid=\"calc__verletbuf_8cpp_1a9a05b6ec12bf1576a3d79072c3c06e0a\" kind=\"function\">\n- <name>minCellSizeForAtomDisplacement</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2calc__verletbuf_8cpp\" kind=\"file\">\n- <name>calc_verletbuf.cpp</name>\n- </compound>\n <compound refid=\"calcvir_8cpp\" kind=\"file\">\n <name>calcvir.cpp</name>\n <member refid=\"calcvir_8cpp_1a7fbc6150a900516fe08f3d1d78d10a3a\" kind=\"function\">\n <name>upd_vir</name>\n </member>\n <member refid=\"calcvir_8cpp_1ab782b5c8d1d54de0f2dc73816c34e69e\" kind=\"function\">\n <name>calc_x_times_f</name>\n@@ -92066,14 +92123,23 @@\n <member refid=\"calcvir_8cpp_1ac0519370169f766a690921574527e1f8\" kind=\"function\">\n <name>f_calc_vir</name>\n </member>\n </compound>\n <compound refid=\"tests_2calcvir_8cpp\" kind=\"file\">\n <name>calcvir.cpp</name>\n </compound>\n+ <compound refid=\"constr_8cpp\" kind=\"file\">\n+ <name>constr.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2constr_8cpp\" kind=\"file\">\n+ <name>constr.cpp</name>\n+ <member refid=\"tests_2constr_8cpp_1ad8707751bcf9b7561997be4d4509f919\" kind=\"function\">\n+ <name>PrintTo</name>\n+ </member>\n+ </compound>\n <compound refid=\"constrtestdata_8cpp\" kind=\"file\">\n <name>constrtestdata.cpp</name>\n </compound>\n <compound refid=\"constrtestdata_8h\" kind=\"file\">\n <name>constrtestdata.h</name>\n </compound>\n <compound refid=\"constrtestrunners_8cpp\" kind=\"file\">\n@@ -92084,19 +92150,43 @@\n <member refid=\"constrtestrunners_8h_1ae18dc737d962baeb9ec208574ff725a9\" kind=\"define\">\n <name>GPU_CONSTRAINTS_SUPPORTED</name>\n </member>\n </compound>\n <compound refid=\"constrtestrunners__gpu_8cpp\" kind=\"file\">\n <name>constrtestrunners_gpu.cpp</name>\n </compound>\n- <compound refid=\"energydrifttracker_8cpp\" kind=\"file\">\n- <name>energydrifttracker.cpp</name>\n+ <compound refid=\"ebin_8cpp\" kind=\"file\">\n+ <name>ebin.cpp</name>\n+ <member refid=\"ebin_8cpp_1ac12bac52fd1d34d837270bb685da4362\" kind=\"function\">\n+ <name>mk_ebin</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a34e4fcb6892846757e2d0696150b9868\" kind=\"function\">\n+ <name>done_ebin</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a8ce9fb2bc0ff647e46e27004f15d37d8\" kind=\"function\">\n+ <name>get_ebin_space</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a0d2f222119cf01dde362e73e8cab24cc\" kind=\"function\">\n+ <name>add_ebin</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1aabfff7a7974e7cd2510d218026ad7763\" kind=\"function\">\n+ <name>add_ebin_indexed</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a5a9a1c3a2803bfb618c59ba80a483eb8\" kind=\"function\">\n+ <name>ebin_increase_count</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a9dccf9e8847ae2b7c90f1757f181edd3\" kind=\"function\">\n+ <name>reset_ebin_sums</name>\n+ </member>\n+ <member refid=\"ebin_8cpp_1a0e53b24a8f43d4ca9afcee637a2bf66a\" kind=\"function\">\n+ <name>pr_ebin</name>\n+ </member>\n </compound>\n- <compound refid=\"tests_2energydrifttracker_8cpp\" kind=\"file\">\n- <name>energydrifttracker.cpp</name>\n+ <compound refid=\"tests_2ebin_8cpp\" kind=\"file\">\n+ <name>ebin.cpp</name>\n </compound>\n <compound refid=\"energyoutput_8cpp\" kind=\"file\">\n <name>energyoutput.cpp</name>\n <member refid=\"energyoutput_8cpp_1ae702283029010214686db86ebefd064f\" kind=\"variable\">\n <name>conrmsd_nm</name>\n </member>\n <member refid=\"energyoutput_8cpp_1af9a5df1cc0f79e30cd549d9390190ae8\" kind=\"variable\">\n@@ -92213,14 +92303,20 @@\n </compound>\n <compound refid=\"mdgpugraph_8cpp\" kind=\"file\">\n <name>mdgpugraph.cpp</name>\n </compound>\n <compound refid=\"parrinellorahman_8cpp\" kind=\"file\">\n <name>parrinellorahman.cpp</name>\n </compound>\n+ <compound refid=\"settle_8cpp\" kind=\"file\">\n+ <name>settle.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2settle_8cpp\" kind=\"file\">\n+ <name>settle.cpp</name>\n+ </compound>\n <compound refid=\"settletestdata_8cpp\" kind=\"file\">\n <name>settletestdata.cpp</name>\n </compound>\n <compound refid=\"settletestdata_8h\" kind=\"file\">\n <name>settletestdata.h</name>\n </compound>\n <compound refid=\"settletestrunners_8cpp\" kind=\"file\">\n@@ -92243,14 +92339,20 @@\n </compound>\n <compound refid=\"simulationsignal_8cpp\" kind=\"file\">\n <name>simulationsignal.cpp</name>\n </compound>\n <compound refid=\"tests_2simulationsignal_8cpp\" kind=\"file\">\n <name>simulationsignal.cpp</name>\n </compound>\n+ <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n+ <name>updategroups.cpp</name>\n+ </compound>\n+ <compound refid=\"updategroups_8cpp\" kind=\"file\">\n+ <name>updategroups.cpp</name>\n+ </compound>\n <compound refid=\"tests_2updategroupscog_8cpp\" kind=\"file\">\n <name>updategroupscog.cpp</name>\n </compound>\n <compound refid=\"updategroupscog_8cpp\" kind=\"file\">\n <name>updategroupscog.cpp</name>\n </compound>\n <compound refid=\"watersystem_8h\" kind=\"file\">\n@@ -92483,20 +92585,14 @@\n <member refid=\"update__vv_8h_1a0651e9a62ab3f26c47a449c665ebe23a\" kind=\"function\">\n <name>integrateVVFirstStep</name>\n </member>\n <member refid=\"update__vv_8h_1a73535f458b491a6e94ea3e7fec5146ff\" kind=\"function\">\n <name>integrateVVSecondStep</name>\n </member>\n </compound>\n- <compound refid=\"tests_2updategroups_8cpp\" kind=\"file\">\n- <name>updategroups.cpp</name>\n- </compound>\n- <compound refid=\"updategroups_8cpp\" kind=\"file\">\n- <name>updategroups.cpp</name>\n- </compound>\n <compound refid=\"updategroups_8h\" kind=\"file\">\n <name>updategroups.h</name>\n </compound>\n <compound refid=\"updategroupscog_8h\" kind=\"file\">\n <name>updategroupscog.h</name>\n </compound>\n <compound refid=\"vcm_8cpp\" kind=\"file\">\n@@ -93209,20 +93305,14 @@\n <member refid=\"fcdata_8h_1ad173eebb54c6ffcba49ac271aa328702\" kind=\"typedef\">\n <name>rvec5</name>\n </member>\n <member refid=\"fcdata_8h_1aa2e4c34fa2d016a33606dd6984d243a8\" kind=\"typedef\">\n <name>t_disresdata</name>\n </member>\n </compound>\n- <compound refid=\"forcebuffers_8cpp\" kind=\"file\">\n- <name>forcebuffers.cpp</name>\n- </compound>\n- <compound refid=\"tests_2forcebuffers_8cpp\" kind=\"file\">\n- <name>forcebuffers.cpp</name>\n- </compound>\n <compound refid=\"forcebuffers_8h\" kind=\"file\">\n <name>forcebuffers.h</name>\n </compound>\n <compound refid=\"forceoutput_8h\" kind=\"file\">\n <name>forceoutput.h</name>\n </compound>\n <compound refid=\"group_8cpp\" kind=\"file\">\n@@ -93650,20 +93740,14 @@\n <member refid=\"mdatom_8h_1a501fde7d06a42c4b57d475b1afc41816\" kind=\"typedef\">\n <name>t_mdatoms</name>\n </member>\n </compound>\n <compound refid=\"mdrunoptions_8h\" kind=\"file\">\n <name>mdrunoptions.h</name>\n </compound>\n- <compound refid=\"multipletimestepping_8cpp\" kind=\"file\">\n- <name>multipletimestepping.cpp</name>\n- </compound>\n- <compound refid=\"tests_2multipletimestepping_8cpp\" kind=\"file\">\n- <name>multipletimestepping.cpp</name>\n- </compound>\n <compound refid=\"multipletimestepping_8h\" kind=\"file\">\n <name>multipletimestepping.h</name>\n </compound>\n <compound refid=\"nblist_8h\" kind=\"file\">\n <name>nblist.h</name>\n </compound>\n <compound refid=\"observableshistory_8cpp\" kind=\"file\">\n@@ -93866,14 +93950,26 @@\n <member refid=\"swaphistory_8h_1a9a3872a2803189eaef2cd341e21d7b49\" kind=\"typedef\">\n <name>swaphistory_t</name>\n </member>\n </compound>\n <compound refid=\"enerdata_8cpp\" kind=\"file\">\n <name>enerdata.cpp</name>\n </compound>\n+ <compound refid=\"forcebuffers_8cpp\" kind=\"file\">\n+ <name>forcebuffers.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2forcebuffers_8cpp\" kind=\"file\">\n+ <name>forcebuffers.cpp</name>\n+ </compound>\n+ <compound refid=\"multipletimestepping_8cpp\" kind=\"file\">\n+ <name>multipletimestepping.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2multipletimestepping_8cpp\" kind=\"file\">\n+ <name>multipletimestepping.cpp</name>\n+ </compound>\n <compound refid=\"threaded__force__buffer_8cpp\" kind=\"file\">\n <name>threaded_force_buffer.cpp</name>\n </compound>\n <compound refid=\"threaded__force__buffer_8h\" kind=\"file\">\n <name>threaded_force_buffer.h</name>\n </compound>\n <compound refid=\"communicator_8cpp\" kind=\"file\">\n@@ -93881,83 +93977,14 @@\n </compound>\n <compound refid=\"communicator_8h\" kind=\"file\">\n <name>communicator.h</name>\n </compound>\n <compound refid=\"communicator__stub_8cpp\" kind=\"file\">\n <name>communicator_stub.cpp</name>\n </compound>\n- <compound refid=\"math_2utilities_8cpp\" kind=\"file\">\n- <name>utilities.cpp</name>\n- <member refid=\"math_2utilities_8cpp_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n- <name>gmx_within_tol</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n- <name>gmx_numzero</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n- <name>check_int_multiply_for_overflow</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n- <name>gmx_feenableexcept</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n- <name>gmx_fedisableexcept</name>\n- </member>\n- <member refid=\"math_2utilities_8cpp_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n- <name>gmxShouldEnableFPExceptions</name>\n- </member>\n- </compound>\n- <compound refid=\"mimic_2utilities_8cpp\" kind=\"file\">\n- <name>utilities.cpp</name>\n- <member refid=\"mimic_2utilities_8cpp_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n- <name>genQmmmIndices</name>\n- </member>\n- </compound>\n- <compound refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69\" kind=\"enum\">\n- <name>MathOptimization</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ac6eea0560cd6f377e78dff2c85cc9122\" kind=\"enumvalue\">\n- <name>Safe</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a1ec29a11264be6ff399bb9409b7e6e69ad3d57868b6ff9839eff631d2cc8acbce\" kind=\"enumvalue\">\n- <name>Unsafe</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a7afe8845680ffc6114c5c9e2ad8b2b2f\" kind=\"function\">\n- <name>gmx_within_tol</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9273cc4767e2ed010fa467146b4dae1b\" kind=\"function\">\n- <name>gmx_numzero</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a9725aef965535877de71f30fb100ebb1\" kind=\"function\">\n- <name>check_int_multiply_for_overflow</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1af6675d24ca9e67e919812680ee2d0ea9\" kind=\"function\">\n- <name>gmx_feenableexcept</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1a193723fbd35bf265e210c8bff4228412\" kind=\"function\">\n- <name>gmx_fedisableexcept</name>\n- </member>\n- <member refid=\"api_2legacy_2include_2gromacs_2math_2utilities_8h_1aedcd399b089c89c5859f3f1aaadfd8cd\" kind=\"function\">\n- <name>gmxShouldEnableFPExceptions</name>\n- </member>\n- </compound>\n- <compound refid=\"src_2gromacs_2listed__forces_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"src_2gromacs_2listed__forces_2utilities_8h_1a02435a07d79c82f6d260d8a2dcc82b90\" kind=\"function\">\n- <name>ftype_is_bonded_potential</name>\n- </member>\n- </compound>\n- <compound refid=\"src_2gromacs_2mimic_2utilities_8h\" kind=\"file\">\n- <name>utilities.h</name>\n- <member refid=\"src_2gromacs_2mimic_2utilities_8h_1ac8c92f4d2b6d6276c25ae95682de13aa\" kind=\"function\">\n- <name>genQmmmIndices</name>\n- </member>\n- </compound>\n <compound refid=\"andersentemperaturecoupling_8cpp\" kind=\"file\">\n <name>andersentemperaturecoupling.cpp</name>\n </compound>\n <compound refid=\"andersentemperaturecoupling_8h\" kind=\"file\">\n <name>andersentemperaturecoupling.h</name>\n </compound>\n <compound refid=\"checkpointhelper_8cpp\" kind=\"file\">\n@@ -96209,55 +96236,55 @@\n <member refid=\"spc27__coords_8h_1aa8761b9b161a3eec1bea6b8ff9f16c8d\" kind=\"variable\">\n <name>spc27Box</name>\n </member>\n <member refid=\"spc27__coords_8h_1a7a83fdebbaa64969eef51fc49a01fa11\" kind=\"variable\">\n <name>spc27Coordinates</name>\n </member>\n </compound>\n- <compound refid=\"helpformat_8cpp\" kind=\"file\">\n- <name>helpformat.cpp</name>\n- </compound>\n- <compound refid=\"tests_2helpformat_8cpp\" kind=\"file\">\n- <name>helpformat.cpp</name>\n- </compound>\n <compound refid=\"helpformat_8h\" kind=\"file\">\n <name>helpformat.h</name>\n </compound>\n+ <compound refid=\"helpmanager_8cpp\" kind=\"file\">\n+ <name>helpmanager.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2helpmanager_8cpp\" kind=\"file\">\n+ <name>helpmanager.cpp</name>\n+ </compound>\n <compound refid=\"helpmanager_8h\" kind=\"file\">\n <name>helpmanager.h</name>\n </compound>\n <compound refid=\"helptopic_8cpp\" kind=\"file\">\n <name>helptopic.cpp</name>\n </compound>\n <compound refid=\"helptopic_8h\" kind=\"file\">\n <name>helptopic.h</name>\n </compound>\n- <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n- <name>helpwritercontext.cpp</name>\n- </compound>\n- <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n- <name>helpwritercontext.cpp</name>\n- </compound>\n <compound refid=\"helpwritercontext_8h\" kind=\"file\">\n <name>helpwritercontext.h</name>\n </compound>\n <compound refid=\"ihelptopic_8h\" kind=\"file\">\n <name>ihelptopic.h</name>\n </compound>\n <compound refid=\"rstparser_8cpp\" kind=\"file\">\n <name>rstparser.cpp</name>\n </compound>\n <compound refid=\"rstparser_8h\" kind=\"file\">\n <name>rstparser.h</name>\n </compound>\n- <compound refid=\"helpmanager_8cpp\" kind=\"file\">\n- <name>helpmanager.cpp</name>\n+ <compound refid=\"helpformat_8cpp\" kind=\"file\">\n+ <name>helpformat.cpp</name>\n </compound>\n- <compound refid=\"tests_2helpmanager_8cpp\" kind=\"file\">\n- <name>helpmanager.cpp</name>\n+ <compound refid=\"tests_2helpformat_8cpp\" kind=\"file\">\n+ <name>helpformat.cpp</name>\n+ </compound>\n+ <compound refid=\"helpwritercontext_8cpp\" kind=\"file\">\n+ <name>helpwritercontext.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2helpwritercontext_8cpp\" kind=\"file\">\n+ <name>helpwritercontext.cpp</name>\n </compound>\n <compound refid=\"mock__helptopic_8cpp\" kind=\"file\">\n <name>mock_helptopic.cpp</name>\n </compound>\n <compound refid=\"mock__helptopic_8h\" kind=\"file\">\n <name>mock_helptopic.h</name>\n </compound>\n@@ -96284,19 +96311,19 @@\n </compound>\n <compound refid=\"behaviorcollection_8cpp\" kind=\"file\">\n <name>behaviorcollection.cpp</name>\n </compound>\n <compound refid=\"behaviorcollection_8h\" kind=\"file\">\n <name>behaviorcollection.h</name>\n </compound>\n- <compound refid=\"filenameoption_8cpp\" kind=\"file\">\n- <name>filenameoption.cpp</name>\n+ <compound refid=\"filenameoptionmanager_8cpp\" kind=\"file\">\n+ <name>filenameoptionmanager.cpp</name>\n </compound>\n- <compound refid=\"tests_2filenameoption_8cpp\" kind=\"file\">\n- <name>filenameoption.cpp</name>\n+ <compound refid=\"tests_2filenameoptionmanager_8cpp\" kind=\"file\">\n+ <name>filenameoptionmanager.cpp</name>\n </compound>\n <compound refid=\"filenameoptionstorage_8h\" kind=\"file\">\n <name>filenameoptionstorage.h</name>\n </compound>\n <compound refid=\"isectionstorage_8h\" kind=\"file\">\n <name>isectionstorage.h</name>\n </compound>\n@@ -96335,19 +96362,19 @@\n </compound>\n <compound refid=\"repeatingsection_8h\" kind=\"file\">\n <name>repeatingsection.h</name>\n </compound>\n <compound refid=\"abstractoptionstorage_8cpp\" kind=\"file\">\n <name>abstractoptionstorage.cpp</name>\n </compound>\n- <compound refid=\"filenameoptionmanager_8cpp\" kind=\"file\">\n- <name>filenameoptionmanager.cpp</name>\n+ <compound refid=\"filenameoption_8cpp\" kind=\"file\">\n+ <name>filenameoption.cpp</name>\n </compound>\n- <compound refid=\"tests_2filenameoptionmanager_8cpp\" kind=\"file\">\n- <name>filenameoptionmanager.cpp</name>\n+ <compound refid=\"tests_2filenameoption_8cpp\" kind=\"file\">\n+ <name>filenameoption.cpp</name>\n </compound>\n <compound refid=\"option_8cpp\" kind=\"file\">\n <name>option.cpp</name>\n </compound>\n <compound refid=\"repeatingsection_8cpp\" kind=\"file\">\n <name>repeatingsection.cpp</name>\n </compound>\n@@ -96674,20 +96701,14 @@\n </compound>\n <compound refid=\"pbc__simd_8cpp\" kind=\"file\">\n <name>pbc_simd.cpp</name>\n <member refid=\"pbc__simd_8cpp_1aee24df3284f90cb78860cfdaab7089ab\" kind=\"function\">\n <name>set_pbc_simd</name>\n </member>\n </compound>\n- <compound refid=\"pbcenums_8cpp\" kind=\"file\">\n- <name>pbcenums.cpp</name>\n- </compound>\n- <compound refid=\"tests_2pbcenums_8cpp\" kind=\"file\">\n- <name>pbcenums.cpp</name>\n- </compound>\n <compound refid=\"pbcmethods_8cpp\" kind=\"file\">\n <name>pbcmethods.cpp</name>\n <member refid=\"pbcmethods_8cpp_1a52f8059b0986fb05e15fd0035fdc6a2b\" kind=\"function\">\n <name>calc_pbc_cluster</name>\n </member>\n <member refid=\"pbcmethods_8cpp_1a8ec2afb0ca5771a6cdf44732d633d96f\" kind=\"function\">\n <name>put_molecule_com_in_box</name>\n@@ -96809,14 +96830,20 @@\n <member refid=\"mshift_8cpp_1a90e20cd98356ad19d61bdd21eae2e53b\" kind=\"function\">\n <name>unshift_self</name>\n </member>\n </compound>\n <compound refid=\"tests_2mshift_8cpp\" kind=\"file\">\n <name>mshift.cpp</name>\n </compound>\n+ <compound refid=\"pbcenums_8cpp\" kind=\"file\">\n+ <name>pbcenums.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2pbcenums_8cpp\" kind=\"file\">\n+ <name>pbcenums.cpp</name>\n+ </compound>\n <compound refid=\"pull_8h\" kind=\"file\">\n <name>pull.h</name>\n <member refid=\"pull_8h_1a98f772136c45528b8d405dd8e13d00b0\" kind=\"variable\">\n <name>c_pullGroupPbcMargin</name>\n </member>\n <member refid=\"pull_8h_1ae5981861a54303677a7841cb8146ad1b\" kind=\"variable\">\n <name>c_pullGroupSmallGroupThreshold</name>\n@@ -96965,14 +96992,164 @@\n <member refid=\"output_8h_1a03a31b1f513efb311037d8520ddb62d5\" kind=\"function\">\n <name>pull_print_output</name>\n </member>\n <member refid=\"output_8h_1a693166a29d07aa8974ebaef30bd38da3\" kind=\"function\">\n <name>initPullHistory</name>\n </member>\n </compound>\n+ <compound refid=\"gromacs_2pulling_2pull_8cpp\" kind=\"file\">\n+ <name>pull.cpp</name>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a8cab498105adcce8fd4fc8bf4984a127\" kind=\"typedef\">\n+ 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refid=\"gromacs_2pulling_2pull_8cpp_1aee0faab178e24c4b71e7b90a6765cbdf\" kind=\"function\">\n+ <name>pull_conversion_factor_internal2userinput</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1aa12dce7db7b1b37348c5a1510453c7ad\" kind=\"function\">\n+ <name>apply_forces_grp_part</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1af5166691587829e237555b55191ce991\" kind=\"function\">\n+ <name>apply_forces_grp</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1ac1ee863f98044aaef082dde37ddadb7e\" kind=\"function\">\n+ <name>apply_forces_cyl_grp</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a983c60df0de16ea81a68eb73fbe4f6ed\" kind=\"function\">\n+ <name>apply_forces_vec_torque</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a9afc3ffe2f474220ec8d2b28123893e1\" kind=\"function\">\n+ <name>apply_forces_coord</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a8cf15d6d89fb52bcf5c6a00f7705feb1\" kind=\"function\">\n+ <name>max_pull_distance2</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1abea558c0bae2ea40f2ec63eb6012c6f3\" kind=\"function\">\n+ <name>low_get_pull_coord_dr</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a316d310cf8b344f6c141f0a483bdd3c0\" kind=\"function\">\n+ <name>get_pull_coord_dr</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1abe4fb0f293bf3518a55a52e3e4daf428\" kind=\"function\">\n+ <name>make_periodic_2pi</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a469b922ca0700489f992971a06fcaa5b\" kind=\"function\">\n+ <name>sanitizePullCoordReferenceValue</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1af4806478d2c62591d0e6a88b81886c7d\" kind=\"function\">\n+ <name>updatePullCoordReferenceValue</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a8d3ebc8f0613f3a323f6e2e2c7e10bc7\" kind=\"function\">\n+ <name>get_dihedral_angle_coord</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1acbbf23ba8f4aba739d0f92b0a5822a37\" kind=\"function\">\n+ <name>get_pull_coord_distance</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a7db49ae62808f71af9047df89103c145\" kind=\"function\">\n+ <name>get_pull_coord_deviation</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a355e0b8f6beca2210556ae3be455b793\" kind=\"function\">\n+ <name>get_pull_coord_value</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a14d101ec0687b9a06ab451974cb11565\" kind=\"function\">\n+ <name>get_pull_coord_value</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1afa390c73e3ed0b6e6405028814cbe52d\" kind=\"function\">\n+ <name>clear_pull_forces</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a932a5227ca3125f94d9e735f3e6e9f86\" kind=\"function\">\n+ <name>do_constraint</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a34a81218a0ff44afd8825963029cc202\" kind=\"function\">\n+ <name>add_virial_coord_dr</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a8f802f5fbd1d6d2f8df56185eebc77be\" kind=\"function\">\n+ <name>add_virial_coord</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1abc05180c6bab17c57b97335c6ab2df61\" kind=\"function\">\n+ <name>calc_pull_coord_scalar_force_and_potential</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a0a407dd434bc7cdaa08db92aead6f90e\" kind=\"function\">\n+ <name>calculateVectorForces</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a86dbe05b3e003570d0fa27706bebe5df\" kind=\"function\">\n+ <name>register_external_pull_potential</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a537a9559a396a254da5b952be3156fda\" kind=\"function\">\n+ <name>check_external_potential_registration</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1ad9d59ccb3809317609a3d26692c6d82b\" kind=\"function\">\n+ <name>apply_external_pull_coord_force</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1ab30c603c7142dc66aa02d007ed3ae4ea\" kind=\"function\">\n+ <name>do_pull_pot_coord</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1ae52b3ed85a40de08d12c40f1b3b9f37a\" kind=\"function\">\n+ <name>pull_potential</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a6b4d07a22b152207d9cb6709bb040166\" kind=\"function\">\n+ <name>pull_apply_forces</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a274164ff70258f561dfee7f438aa3036\" kind=\"function\">\n+ <name>pull_constraint</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a302b9116a0f096e55e63448547e96e98\" kind=\"function\">\n+ <name>dd_make_local_pull_groups</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a1a873aa71d3117760e9cafb82c5c7b77\" kind=\"function\">\n+ <name>init_pull_group_index</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a07758b3052de5faa719460ea88621f3b\" kind=\"function\">\n+ <name>init_pull</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a6573fff44255508078bc55688b07d6ff\" kind=\"function\">\n+ <name>destroy_pull</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a0799b226066787980d0c56b7ada28487\" kind=\"function\">\n+ <name>preparePrevStepPullComNewSimulation</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a4d0f8b45f26baa5615589932d5114927\" kind=\"function\">\n+ <name>preparePrevStepPullCom</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a13f47d536a7dbf42621f5b69e5ee603a\" kind=\"function\">\n+ <name>finish_pull</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1ae6af89f849fd30d51ca83d0a083f55c7\" kind=\"function\">\n+ <name>pull_have_potential</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a566ce120c039a41fd0bb770a8c3c6724\" kind=\"function\">\n+ <name>pull_have_constraint</name>\n+ </member>\n+ <member refid=\"gromacs_2pulling_2pull_8cpp_1a6aa45e79faa7a773a9d33ec602edb4f6\" kind=\"function\">\n+ <name>pull_have_constraint</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"gromacs_2pulling_2tests_2pull_8cpp\" kind=\"file\">\n+ <name>pull.cpp</name>\n+ </compound>\n+ <compound refid=\"programs_2mdrun_2tests_2pull_8cpp\" kind=\"file\">\n+ <name>pull.cpp</name>\n+ </compound>\n <compound refid=\"pull__internal_8h\" kind=\"file\">\n <name>pull_internal.h</name>\n <member refid=\"pull__internal_8h_1a7cc2e4244ca368f68e5746185eda6c4a\" kind=\"enum\">\n <name/>\n </member>\n <member refid=\"pull__internal_8h_1a7cc2e4244ca368f68e5746185eda6c4aaab4f7e02e961ae3681757f8a6cbefdcd\" kind=\"enumvalue\">\n <name>epgrppbcNONE</name>\n@@ -97301,164 +97478,14 @@\n 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refid=\"gromacs_2pulling_2pull_8cpp_1a0a407dd434bc7cdaa08db92aead6f90e\" kind=\"function\">\n- <name>calculateVectorForces</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a86dbe05b3e003570d0fa27706bebe5df\" kind=\"function\">\n- <name>register_external_pull_potential</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a537a9559a396a254da5b952be3156fda\" kind=\"function\">\n- <name>check_external_potential_registration</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1ad9d59ccb3809317609a3d26692c6d82b\" kind=\"function\">\n- <name>apply_external_pull_coord_force</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1ab30c603c7142dc66aa02d007ed3ae4ea\" kind=\"function\">\n- <name>do_pull_pot_coord</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1ae52b3ed85a40de08d12c40f1b3b9f37a\" kind=\"function\">\n- <name>pull_potential</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a6b4d07a22b152207d9cb6709bb040166\" kind=\"function\">\n- <name>pull_apply_forces</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a274164ff70258f561dfee7f438aa3036\" kind=\"function\">\n- <name>pull_constraint</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a302b9116a0f096e55e63448547e96e98\" kind=\"function\">\n- <name>dd_make_local_pull_groups</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a1a873aa71d3117760e9cafb82c5c7b77\" kind=\"function\">\n- <name>init_pull_group_index</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a07758b3052de5faa719460ea88621f3b\" kind=\"function\">\n- <name>init_pull</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a6573fff44255508078bc55688b07d6ff\" kind=\"function\">\n- <name>destroy_pull</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a0799b226066787980d0c56b7ada28487\" kind=\"function\">\n- <name>preparePrevStepPullComNewSimulation</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a4d0f8b45f26baa5615589932d5114927\" kind=\"function\">\n- <name>preparePrevStepPullCom</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a13f47d536a7dbf42621f5b69e5ee603a\" kind=\"function\">\n- <name>finish_pull</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1ae6af89f849fd30d51ca83d0a083f55c7\" kind=\"function\">\n- <name>pull_have_potential</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a566ce120c039a41fd0bb770a8c3c6724\" kind=\"function\">\n- <name>pull_have_constraint</name>\n- </member>\n- <member refid=\"gromacs_2pulling_2pull_8cpp_1a6aa45e79faa7a773a9d33ec602edb4f6\" kind=\"function\">\n- <name>pull_have_constraint</name>\n- </member>\n- </compound>\n- <compound refid=\"gromacs_2pulling_2tests_2pull_8cpp\" kind=\"file\">\n- <name>pull.cpp</name>\n- </compound>\n- <compound refid=\"programs_2mdrun_2tests_2pull_8cpp\" kind=\"file\">\n- <name>pull.cpp</name>\n- </compound>\n <compound refid=\"transformationcoordinate_8cpp\" kind=\"file\">\n <name>transformationcoordinate.cpp</name>\n </compound>\n <compound refid=\"transformationcoordinate_8h\" kind=\"file\">\n <name>transformationcoordinate.h</name>\n </compound>\n <compound refid=\"exponentialdistribution_8h\" kind=\"file\">\n@@ -97991,20 +98018,14 @@\n <member refid=\"mempool_8h_1ab6d31a7e65ca3c3a9b7c60030e463f7e\" kind=\"function\">\n <name>_gmx_sel_mempool_alloc_group</name>\n </member>\n <member refid=\"mempool_8h_1a54bee0becd16f45c8fef086741f3c640\" kind=\"function\">\n <name>_gmx_sel_mempool_free_group</name>\n </member>\n </compound>\n- <compound refid=\"nbsearch_8cpp\" kind=\"file\">\n- <name>nbsearch.cpp</name>\n- </compound>\n- <compound refid=\"tests_2nbsearch_8cpp\" kind=\"file\">\n- <name>nbsearch.cpp</name>\n- </compound>\n <compound refid=\"params_8cpp\" kind=\"file\">\n <name>params.cpp</name>\n <member refid=\"params_8cpp_1a0b7a4287d249f2fc627a4ba6e2e6969b\" kind=\"function\">\n <name>gmx_ana_selparam_find</name>\n </member>\n <member refid=\"params_8cpp_1a19d2834cd3672d8cfb1456e0a2df8611\" kind=\"function\">\n <name>convert_value</name>\n@@ -98531,14 +98552,20 @@\n </compound>\n <compound refid=\"selectionfileoption_8h\" kind=\"file\">\n <name>selectionfileoption.h</name>\n </compound>\n <compound refid=\"selectionfileoptionstorage_8h\" kind=\"file\">\n <name>selectionfileoptionstorage.h</name>\n </compound>\n+ <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n+ <name>selectionoption.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n+ <name>selectionoption.cpp</name>\n+ </compound>\n <compound refid=\"selectionoptionbehavior_8cpp\" kind=\"file\">\n <name>selectionoptionbehavior.cpp</name>\n </compound>\n <compound refid=\"selectionoptionmanager_8cpp\" kind=\"file\">\n <name>selectionoptionmanager.cpp</name>\n </compound>\n <compound refid=\"selectionoptionstorage_8h\" kind=\"file\">\n@@ -99764,14 +99791,20 @@\n <member refid=\"indexutil_8cpp_1a03b58612d9db3c295423c4ad9fb73160\" kind=\"function\">\n <name>gmx_ana_indexmap_deinit</name>\n </member>\n </compound>\n <compound refid=\"tests_2indexutil_8cpp\" kind=\"file\">\n <name>indexutil.cpp</name>\n </compound>\n+ <compound refid=\"nbsearch_8cpp\" kind=\"file\">\n+ <name>nbsearch.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2nbsearch_8cpp\" kind=\"file\">\n+ <name>nbsearch.cpp</name>\n+ </compound>\n <compound refid=\"poscalc_8cpp\" kind=\"file\">\n <name>poscalc.cpp</name>\n <member refid=\"poscalc_8cpp_1a1a26d01f91edcd50ef43e3a7d2e1e1ef\" kind=\"function\">\n <name>index_type_for_poscalc</name>\n </member>\n <member refid=\"poscalc_8cpp_1af0c51ef47d58fb366b02c678c4dc8de8\" kind=\"function\">\n <name>set_poscalc_maxindex</name>\n@@ -99818,20 +99851,14 @@\n </compound>\n <compound refid=\"selectioncollection_8cpp\" kind=\"file\">\n <name>selectioncollection.cpp</name>\n </compound>\n <compound refid=\"tests_2selectioncollection_8cpp\" kind=\"file\">\n <name>selectioncollection.cpp</name>\n </compound>\n- <compound refid=\"selectionoption_8cpp\" kind=\"file\">\n- <name>selectionoption.cpp</name>\n- </compound>\n- <compound refid=\"tests_2selectionoption_8cpp\" kind=\"file\">\n- <name>selectionoption.cpp</name>\n- </compound>\n <compound refid=\"toputils_8cpp\" kind=\"file\">\n <name>toputils.cpp</name>\n </compound>\n <compound refid=\"toputils_8h\" kind=\"file\">\n <name>toputils.h</name>\n </compound>\n <compound refid=\"hsimd__declarations_8h\" kind=\"file\">\n@@ -99992,50 +100019,14 @@\n </compound>\n <compound refid=\"scalar__math_8h\" kind=\"file\">\n <name>scalar_math.h</name>\n </compound>\n <compound refid=\"scalar__util_8h\" kind=\"file\">\n <name>scalar_util.h</name>\n </compound>\n- <compound refid=\"simd__math_8h\" kind=\"file\">\n- <name>simd_math.h</name>\n- </compound>\n- <compound refid=\"simd__memory_8h\" kind=\"file\">\n- <name>simd_memory.h</name>\n- </compound>\n- <compound refid=\"vector__operations_8h\" kind=\"file\">\n- <name>vector_operations.h</name>\n- </compound>\n- <compound refid=\"base_8cpp\" kind=\"file\">\n- <name>base.cpp</name>\n- </compound>\n- <compound refid=\"base_8h\" kind=\"file\">\n- <name>base.h</name>\n- <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n- <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n- </member>\n- </compound>\n- <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n- <name>bootstrap_loadstore.cpp</name>\n- </compound>\n- <compound refid=\"data_8h\" kind=\"file\">\n- <name>data.h</name>\n- </compound>\n- <compound refid=\"scalar_8cpp\" kind=\"file\">\n- <name>scalar.cpp</name>\n- </compound>\n- <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n- <name>scalar_math.cpp</name>\n- </compound>\n- <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n- <name>scalar_util.cpp</name>\n- </compound>\n- <compound refid=\"simd_8cpp\" kind=\"file\">\n- <name>simd.cpp</name>\n- </compound>\n <compound refid=\"include_2gromacs_2simd_2simd_8h\" kind=\"file\">\n <name>simd.h</name>\n <member refid=\"group__module__simd_1ga1578fccdb327f36a2bea338457cbf883\" kind=\"define\">\n <name>GMX_SIMD_HAVE_REAL</name>\n </member>\n <member refid=\"group__module__simd_1ga586ccc19c21a1d5e9c97e15b70822fba\" kind=\"define\">\n <name>GMX_SIMD_REAL_WIDTH</name>\n@@ -100076,14 +100067,50 @@\n <member refid=\"include_2gromacs_2simd_2simd_8h_1a189844f1c8b104833734513c2ae480a9\" kind=\"define\">\n <name>GMX_SIMD4N_REAL_WIDTH</name>\n </member>\n </compound>\n <compound refid=\"tests_2simd_8h\" kind=\"file\">\n <name>simd.h</name>\n </compound>\n+ <compound refid=\"simd__math_8h\" kind=\"file\">\n+ <name>simd_math.h</name>\n+ </compound>\n+ <compound refid=\"simd__memory_8h\" kind=\"file\">\n+ <name>simd_memory.h</name>\n+ </compound>\n+ <compound refid=\"vector__operations_8h\" kind=\"file\">\n+ <name>vector_operations.h</name>\n+ </compound>\n+ <compound refid=\"base_8cpp\" kind=\"file\">\n+ <name>base.cpp</name>\n+ </compound>\n+ <compound refid=\"base_8h\" kind=\"file\">\n+ <name>base.h</name>\n+ <member refid=\"base_8h_1ac0824259807000bc715ae859f7d0bdff\" kind=\"define\">\n+ <name>GMX_SIMD_ACCURACY_BITS_REAL</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"bootstrap__loadstore_8cpp\" kind=\"file\">\n+ <name>bootstrap_loadstore.cpp</name>\n+ </compound>\n+ <compound refid=\"data_8h\" kind=\"file\">\n+ <name>data.h</name>\n+ </compound>\n+ <compound refid=\"scalar_8cpp\" kind=\"file\">\n+ <name>scalar.cpp</name>\n+ </compound>\n+ <compound refid=\"scalar__math_8cpp\" kind=\"file\">\n+ <name>scalar_math.cpp</name>\n+ </compound>\n+ <compound refid=\"scalar__util_8cpp\" kind=\"file\">\n+ <name>scalar_util.cpp</name>\n+ </compound>\n+ <compound refid=\"simd_8cpp\" kind=\"file\">\n+ <name>simd.cpp</name>\n+ </compound>\n <compound refid=\"simd4_8cpp\" kind=\"file\">\n <name>simd4.cpp</name>\n </compound>\n <compound refid=\"simd4_8h\" kind=\"file\">\n <name>simd4.h</name>\n </compound>\n <compound refid=\"simd4__floatingpoint_8cpp\" kind=\"file\">\n@@ -101390,26 +101417,14 @@\n <member refid=\"convert__tpr_8cpp_1a6a1dfd27250c05439e72e91d1dc621d9\" kind=\"function\">\n <name>print_runtime_info</name>\n </member>\n </compound>\n <compound refid=\"convert__tpr_8h\" kind=\"file\">\n <name>convert_tpr.h</name>\n </compound>\n- <compound refid=\"domdec_2dump_8h\" kind=\"file\">\n- <name>dump.h</name>\n- <member refid=\"domdec_2dump_8h_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n- <name>write_dd_grid_pdb</name>\n- </member>\n- <member refid=\"domdec_2dump_8h_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n- <name>write_dd_pdb</name>\n- </member>\n- </compound>\n- <compound refid=\"tools_2dump_8h\" kind=\"file\">\n- <name>dump.h</name>\n- </compound>\n <compound refid=\"eneconv_8cpp\" kind=\"file\">\n <name>eneconv.cpp</name>\n <member refid=\"eneconv_8cpp_1a7f53bfa6bc1bc9e1f0669290d03dc823\" kind=\"define\">\n <name>TIME_EXPLICIT</name>\n </member>\n <member refid=\"eneconv_8cpp_1af23ab04b746a0b7cf50a63d4306f956f\" kind=\"define\">\n <name>TIME_CONTINUE</name>\n@@ -101561,35 +101576,26 @@\n </compound>\n <compound refid=\"pme__error_8h\" kind=\"file\">\n <name>pme_error.h</name>\n <member refid=\"pme__error_8h_1a42920a62354c32b1fb15a43415ae13c1\" kind=\"function\">\n <name>gmx_pme_error</name>\n </member>\n </compound>\n+ <compound refid=\"report__methods_8cpp\" kind=\"file\">\n+ <name>report_methods.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n+ <name>report_methods.cpp</name>\n+ </compound>\n <compound refid=\"report__methods_8h\" kind=\"file\">\n <name>report_methods.h</name>\n </compound>\n <compound refid=\"convert-tpr_8cpp\" kind=\"file\">\n <name>convert-tpr.cpp</name>\n </compound>\n- <compound refid=\"domdec_2dump_8cpp\" kind=\"file\">\n- <name>dump.cpp</name>\n- <member refid=\"domdec_2dump_8cpp_1a24ad4a51109a28e8e9c62508b9e42647\" kind=\"function\">\n- <name>write_dd_grid_pdb</name>\n- </member>\n- <member refid=\"domdec_2dump_8cpp_1a1bd82c86c0d8c32a9ee429e70eaaa803\" kind=\"function\">\n- <name>write_dd_pdb</name>\n- </member>\n- </compound>\n- <compound refid=\"tools_2dump_8cpp\" kind=\"file\">\n- <name>dump.cpp</name>\n- </compound>\n- <compound refid=\"tools_2tests_2dump_8cpp\" kind=\"file\">\n- <name>dump.cpp</name>\n- </compound>\n <compound refid=\"gromacs_2tools_2tests_2helpwriting_8cpp\" kind=\"file\">\n <name>helpwriting.cpp</name>\n </compound>\n <compound refid=\"programs_2mdrun_2tests_2helpwriting_8cpp\" kind=\"file\">\n <name>helpwriting.cpp</name>\n </compound>\n <compound refid=\"make__ndx_8cpp\" kind=\"file\">\n@@ -101693,20 +101699,14 @@\n <member refid=\"make__ndx_8cpp_1ae152e83bae7af9b36641e457dfd6656e\" kind=\"function\">\n <name>gmx_make_ndx</name>\n </member>\n </compound>\n <compound refid=\"tests_2make__ndx_8cpp\" kind=\"file\">\n <name>make_ndx.cpp</name>\n </compound>\n- <compound refid=\"report__methods_8cpp\" kind=\"file\">\n- <name>report_methods.cpp</name>\n- </compound>\n- <compound refid=\"tests_2report__methods_8cpp\" kind=\"file\">\n- <name>report_methods.cpp</name>\n- </compound>\n <compound refid=\"tests_2trjconv_8cpp\" kind=\"file\">\n <name>trjconv.cpp</name>\n </compound>\n <compound refid=\"trjconv_8cpp\" kind=\"file\">\n <name>trjconv.cpp</name>\n <member refid=\"trjconv_8cpp_1ab70d4725699c0935e4847676027e7820\" kind=\"define\">\n <name>NPA</name>\n@@ -102266,86 +102266,14 @@\n <member refid=\"topsort_8h_1a061625a49410931fb2cfce96d1624bfb\" kind=\"function\">\n <name>gmx_mtop_bondeds_free_energy</name>\n </member>\n <member refid=\"topsort_8h_1aefae2a78e38f1b9ed07cbbd61ebf04f9\" kind=\"function\">\n <name>gmx_sort_ilist_fe</name>\n </member>\n </compound>\n- <compound refid=\"index_8cpp\" kind=\"file\">\n- 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refid=\"index_8cpp_1a21ca884ab0fca06ca58c9892ecfa8cf3\" kind=\"function\">\n- <name>analyse_prot</name>\n- </member>\n- <member refid=\"index_8cpp_1a777113ddc3ae87dac07fba68989e0800\" kind=\"function\">\n- <name>analyse</name>\n- </member>\n- <member refid=\"index_8cpp_1a729121861bd15ca4b4bc0721d10b81f3\" kind=\"function\">\n- <name>check_index</name>\n- </member>\n- <member refid=\"index_8cpp_1aa51a237929e3d21c8134ceab8abfa540\" kind=\"function\">\n- <name>init_index</name>\n- </member>\n- <member refid=\"index_8cpp_1af1d48a46b9afb614fb8dd91a5583de64\" kind=\"function\">\n- <name>minstring</name>\n- </member>\n- <member refid=\"index_8cpp_1a22dccab89e65e3a087fb17a2afbb6033\" kind=\"function\">\n- <name>indexGroupName</name>\n- </member>\n- <member refid=\"index_8cpp_1ad0859c1abf601852cc3a3a47d97ee19b\" kind=\"function\">\n- <name>indexGroupName</name>\n- </member>\n- <member refid=\"index_8cpp_1ae5ac1ccd0aea9ba91598c1aa93e22440\" kind=\"function\">\n- <name>findGroupTemplated</name>\n- </member>\n- <member refid=\"index_8cpp_1abe8eead7cc8889a6f452a44d10955c65\" kind=\"function\">\n- <name>find_group</name>\n- </member>\n- <member refid=\"index_8cpp_1a98f5bc28aa52bff5e25497e8fa44202c\" kind=\"function\">\n- <name>find_group</name>\n- </member>\n- <member refid=\"index_8cpp_1a76c7e38fd7b61edbf2d8332069157628\" kind=\"function\">\n- <name>qgroup</name>\n- </member>\n- <member refid=\"index_8cpp_1a7b37cae368e9541296837f52e70be6ff\" kind=\"function\">\n- <name>rd_groups</name>\n- </member>\n- <member refid=\"index_8cpp_1a74f12914da571c5d0f945bfc86426a52\" kind=\"function\">\n- <name>rd_index</name>\n- </member>\n- <member refid=\"index_8cpp_1ac2ff5d431ca92b6a0e40399fe7e63e6c\" kind=\"function\">\n- <name>get_index</name>\n- </member>\n- <member refid=\"index_8cpp_1adfcd255b01bdfe962224474b313f2408\" kind=\"function\">\n- <name>cluster_index</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2index_8cpp\" kind=\"file\">\n- <name>index.cpp</name>\n- </compound>\n <compound refid=\"invblock_8cpp\" kind=\"file\">\n <name>invblock.cpp</name>\n <member refid=\"invblock_8cpp_1ad02cdde604b11c63ada9f9c4980a2bdf\" kind=\"function\">\n <name>make_invblock</name>\n </member>\n </compound>\n <compound refid=\"mtop__atomloops_8cpp\" kind=\"file\">\n@@ -102578,14 +102506,86 @@\n </compound>\n <compound refid=\"exclusionblocks_8cpp\" kind=\"file\">\n <name>exclusionblocks.cpp</name>\n </compound>\n <compound refid=\"tests_2exclusionblocks_8cpp\" kind=\"file\">\n <name>exclusionblocks.cpp</name>\n </compound>\n+ <compound refid=\"index_8cpp\" kind=\"file\">\n+ <name>index.cpp</name>\n+ <member refid=\"index_8cpp_1a2e0f10ad5bc6f3fa6207822ba138aab2\" kind=\"typedef\">\n+ <name>t_gmx_help_make_index_group</name>\n+ </member>\n+ <member refid=\"index_8cpp_1adac980840e629a3e4cee75210ac855db\" kind=\"function\">\n+ <name>gmx_ask_yesno</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a8e772d96d0d1d46abf5144f48545c95b\" kind=\"function\">\n+ <name>write_index</name>\n+ </member>\n+ <member refid=\"index_8cpp_1afa247aa9c0aee82c1d9d0b28c6d958ae\" kind=\"function\">\n+ <name>grp_cmp</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a5cb954dcc6d4c9f783a6a9311047104f\" kind=\"function\">\n+ <name>printMoleculeCategoryResidueCounts</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a1867d4c2341272aae1dba498cae6cfbe\" kind=\"function\">\n+ <name>mk_aid</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a924ffdc9df8600d1ba0f54247f922813\" kind=\"function\">\n+ <name>analyse_other</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a21ca884ab0fca06ca58c9892ecfa8cf3\" kind=\"function\">\n+ <name>analyse_prot</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a777113ddc3ae87dac07fba68989e0800\" kind=\"function\">\n+ <name>analyse</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a729121861bd15ca4b4bc0721d10b81f3\" kind=\"function\">\n+ <name>check_index</name>\n+ </member>\n+ <member refid=\"index_8cpp_1aa51a237929e3d21c8134ceab8abfa540\" kind=\"function\">\n+ <name>init_index</name>\n+ </member>\n+ <member refid=\"index_8cpp_1af1d48a46b9afb614fb8dd91a5583de64\" kind=\"function\">\n+ <name>minstring</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a22dccab89e65e3a087fb17a2afbb6033\" kind=\"function\">\n+ <name>indexGroupName</name>\n+ </member>\n+ <member refid=\"index_8cpp_1ad0859c1abf601852cc3a3a47d97ee19b\" kind=\"function\">\n+ <name>indexGroupName</name>\n+ </member>\n+ <member refid=\"index_8cpp_1ae5ac1ccd0aea9ba91598c1aa93e22440\" kind=\"function\">\n+ <name>findGroupTemplated</name>\n+ </member>\n+ <member refid=\"index_8cpp_1abe8eead7cc8889a6f452a44d10955c65\" kind=\"function\">\n+ <name>find_group</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a98f5bc28aa52bff5e25497e8fa44202c\" kind=\"function\">\n+ <name>find_group</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a76c7e38fd7b61edbf2d8332069157628\" kind=\"function\">\n+ <name>qgroup</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a7b37cae368e9541296837f52e70be6ff\" kind=\"function\">\n+ <name>rd_groups</name>\n+ </member>\n+ <member refid=\"index_8cpp_1a74f12914da571c5d0f945bfc86426a52\" kind=\"function\">\n+ <name>rd_index</name>\n+ </member>\n+ <member refid=\"index_8cpp_1ac2ff5d431ca92b6a0e40399fe7e63e6c\" kind=\"function\">\n+ <name>get_index</name>\n+ </member>\n+ <member refid=\"index_8cpp_1adfcd255b01bdfe962224474b313f2408\" kind=\"function\">\n+ <name>cluster_index</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2index_8cpp\" kind=\"file\">\n+ <name>index.cpp</name>\n+ </compound>\n <compound refid=\"mtop_8cpp\" kind=\"file\">\n <name>mtop.cpp</name>\n </compound>\n <compound refid=\"symtab_8cpp\" kind=\"file\">\n <name>symtab.cpp</name>\n <member refid=\"symtab_8cpp_1a74545f5cb6cc89f617f17fc2ec35485c\" kind=\"variable\">\n <name>c_trimSize</name>\n@@ -102632,32 +102632,14 @@\n <member refid=\"symtab_8cpp_1ab145748767232adc88bc7ec9435cc5be\" kind=\"function\">\n <name>pr_symtab</name>\n </member>\n </compound>\n <compound refid=\"tests_2symtab_8cpp\" kind=\"file\">\n <name>symtab.cpp</name>\n </compound>\n- <compound refid=\"tests_2topsort_8cpp\" kind=\"file\">\n- <name>topsort.cpp</name>\n- </compound>\n- <compound refid=\"topsort_8cpp\" kind=\"file\">\n- <name>topsort.cpp</name>\n- <member refid=\"topsort_8cpp_1a946b82bd3645f53a3ef0fc452cda3255\" kind=\"function\">\n- <name>ip_pert</name>\n- </member>\n- <member refid=\"topsort_8cpp_1aa23a3c8d5646c2d862c87f1a3c2805cd\" kind=\"function\">\n- <name>hasPerturbedCharge</name>\n- </member>\n- <member refid=\"topsort_8cpp_1ad591064a31a561507ca473b94858b513\" kind=\"function\">\n- <name>gmx_mtop_bondeds_free_energy</name>\n- </member>\n- <member refid=\"topsort_8cpp_1aefae2a78e38f1b9ed07cbbd61ebf04f9\" kind=\"function\">\n- <name>gmx_sort_ilist_fe</name>\n- </member>\n- </compound>\n <compound refid=\"topology_8cpp\" kind=\"file\">\n <name>topology.cpp</name>\n <member refid=\"topology_8cpp_1adbbbc6066966865e09b44a0a55027dc6\" kind=\"function\">\n <name>shortName</name>\n </member>\n <member refid=\"topology_8cpp_1a607377e40e38c2265a65c02c34c38135\" kind=\"function\">\n <name>gmx_mtop_maxresnr</name>\n@@ -102746,14 +102728,32 @@\n <member refid=\"topology_8cpp_1a85d05becca5c0679d34818b34cac059f\" kind=\"function\">\n <name>getGroupType</name>\n </member>\n <member refid=\"topology_8cpp_1a6175a7c5cb4ba4a3b8e141f38e7085d1\" kind=\"function\">\n <name>copy_moltype</name>\n </member>\n </compound>\n+ <compound refid=\"tests_2topsort_8cpp\" kind=\"file\">\n+ <name>topsort.cpp</name>\n+ </compound>\n+ <compound refid=\"topsort_8cpp\" kind=\"file\">\n+ <name>topsort.cpp</name>\n+ <member refid=\"topsort_8cpp_1a946b82bd3645f53a3ef0fc452cda3255\" kind=\"function\">\n+ <name>ip_pert</name>\n+ </member>\n+ <member refid=\"topsort_8cpp_1aa23a3c8d5646c2d862c87f1a3c2805cd\" kind=\"function\">\n+ <name>hasPerturbedCharge</name>\n+ </member>\n+ <member refid=\"topsort_8cpp_1ad591064a31a561507ca473b94858b513\" kind=\"function\">\n+ <name>gmx_mtop_bondeds_free_energy</name>\n+ </member>\n+ <member refid=\"topsort_8cpp_1aefae2a78e38f1b9ed07cbbd61ebf04f9\" kind=\"function\">\n+ <name>gmx_sort_ilist_fe</name>\n+ </member>\n+ </compound>\n <compound refid=\"energyframe_8cpp\" kind=\"file\">\n <name>energyframe.cpp</name>\n </compound>\n <compound refid=\"energyframe_8h\" kind=\"file\">\n <name>energyframe.h</name>\n </compound>\n <compound refid=\"trajectoryframe_8cpp\" kind=\"file\">\n@@ -103043,20 +103043,14 @@\n </compound>\n <compound refid=\"tests_2topologyinformation_8cpp\" kind=\"file\">\n <name>topologyinformation.cpp</name>\n </compound>\n <compound refid=\"topologyinformation_8cpp\" kind=\"file\">\n <name>topologyinformation.cpp</name>\n </compound>\n- <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n- <name>alignedallocator.cpp</name>\n- </compound>\n- <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n- <name>alignedallocator.cpp</name>\n- </compound>\n <compound refid=\"any_8cpp\" kind=\"file\">\n <name>any.cpp</name>\n </compound>\n <compound refid=\"basenetwork_8cpp\" kind=\"file\">\n <name>basenetwork.cpp</name>\n <member refid=\"basenetwork_8cpp_1a0be63511ea9391dd2049b56d43a9e6a1\" kind=\"function\">\n <name>gmx_mpi_initialized</name>\n@@ -103403,14 +103397,74 @@\n <member refid=\"basenetwork_8h_1a856663c2fa6ff9a42b99facd16ecba7f\" kind=\"function\">\n <name>gmx_abort</name>\n </member>\n </compound>\n <compound refid=\"binaryinformation_8h\" kind=\"file\">\n <name>binaryinformation.h</name>\n </compound>\n+ <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n+ <name>bitmask.h</name>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n+ <name>BITMASK_SIZE</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n+ <name>gmx_bitmask_t</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n+ <name>bitmask_clear</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n+ <name>bitmask_set_bit</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n+ <name>bitmask_init_bit</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n+ <name>bitmask_init_low_bits</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n+ <name>bitmask_is_set</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n+ <name>bitmask_is_disjoint</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n+ <name>bitmask_is_equal</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n+ <name>bitmask_is_zero</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n+ <name>bitmask_union</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n+ <name>to_hex_string</name>\n+ </member>\n+ </compound>\n+ <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n+ <name>bitmask.h</name>\n+ <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n+ <name>BITMASK_CLASSNAME_</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n+ <name>BITMASK_CLASSNAME</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n+ <name>BITMASK_TEST_P_</name>\n+ </member>\n+ <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n+ <name>BITMASK_TEST_P</name>\n+ </member>\n+ </compound>\n <compound refid=\"booltype_8h\" kind=\"file\">\n <name>booltype.h</name>\n </compound>\n <compound refid=\"compare_8h\" kind=\"file\">\n <name>compare.h</name>\n <member refid=\"compare_8h_1ad40ca9a553b3ccef4e8b0333186bab03\" kind=\"function\">\n <name>equal_real</name>\n@@ -103847,20 +103901,14 @@\n </compound>\n <compound refid=\"typetraits_8h\" kind=\"file\">\n <name>typetraits.h</name>\n </compound>\n <compound refid=\"init_8cpp\" kind=\"file\">\n <name>init.cpp</name>\n </compound>\n- <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n- <name>inmemoryserializer.cpp</name>\n- </compound>\n- <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n- <name>inmemoryserializer.cpp</name>\n- </compound>\n <compound refid=\"int64__to__int_8cpp\" kind=\"file\">\n <name>int64_to_int.cpp</name>\n <member refid=\"int64__to__int_8cpp_1ab92665612f143c0333490cc3522d193e\" kind=\"function\">\n <name>int64_to_int</name>\n </member>\n </compound>\n <compound refid=\"keyvaluetree_8cpp\" kind=\"file\">\n@@ -103982,80 +104030,26 @@\n <member refid=\"group__module__utility_1ga447d4d48064efaaa8ee438b3e5d0f676\" kind=\"function\">\n <name>gmx_format_current_time</name>\n </member>\n <member refid=\"group__module__utility_1gac2072a6edde816d91e0bf12ca016f3b4\" kind=\"function\">\n <name>gmx_set_nice</name>\n </member>\n </compound>\n+ <compound refid=\"alignedallocator_8cpp\" kind=\"file\">\n+ <name>alignedallocator.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2alignedallocator_8cpp\" kind=\"file\">\n+ <name>alignedallocator.cpp</name>\n+ </compound>\n <compound refid=\"alignedallocator__impl_8h\" kind=\"file\">\n <name>alignedallocator_impl.h</name>\n </compound>\n <compound refid=\"arrayref_8cpp\" kind=\"file\">\n <name>arrayref.cpp</name>\n </compound>\n- <compound refid=\"include_2gromacs_2utility_2bitmask_8h\" kind=\"file\">\n- <name>bitmask.h</name>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n- <name>BITMASK_SIZE</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a36d974770db6f000fa22d11ec2e703ae\" kind=\"typedef\">\n- <name>gmx_bitmask_t</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a18f53c59e5ef4fe3f1b1a649da01fd0a\" kind=\"function\">\n- <name>bitmask_clear</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a5168231ad0b5853459cb773289746f17\" kind=\"function\">\n- <name>bitmask_set_bit</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1ac5dd57fcf554ecadf7f009008e33be8b\" kind=\"function\">\n- <name>bitmask_init_bit</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a7ff662ac524c3f80cfa909c40e337eec\" kind=\"function\">\n- <name>bitmask_init_low_bits</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a0393c9b4ae7479b8a94175ca824da638\" kind=\"function\">\n- <name>bitmask_is_set</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a8f44d71faaedd70fca3d13deeb28e184\" kind=\"function\">\n- <name>bitmask_is_disjoint</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1aaa9e0bc87b7c9a5c374df77c89c1a831\" kind=\"function\">\n- <name>bitmask_is_equal</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a401f50b66873e8949399a4a4a7e5a7e0\" kind=\"function\">\n- <name>bitmask_is_zero</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a493dcf3cd86ca6ae1bdb530c1e1da513\" kind=\"function\">\n- <name>bitmask_union</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a9779f1aa514f38cfb6c4fa651ab0cf85\" kind=\"function\">\n- <name>to_hex_string</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1a205d4d90d896181906c7ee156f92d905\" kind=\"function\">\n- <name>to_hex_string</name>\n- </member>\n- <member refid=\"include_2gromacs_2utility_2bitmask_8h_1abc49e90631d64a92cf4e3e3bc8961abc\" kind=\"function\">\n- <name>to_hex_string</name>\n- </member>\n- </compound>\n- <compound refid=\"tests_2bitmask_8h\" kind=\"file\">\n- <name>bitmask.h</name>\n- <member refid=\"tests_2bitmask_8h_1aa4a16ee87fdc3d8eec077e2ee58cfd8c\" kind=\"define\">\n- <name>BITMASK_CLASSNAME_</name>\n- </member>\n- <member refid=\"tests_2bitmask_8h_1ae98c2c3acbcaf4cebce8326e3ad682cb\" kind=\"define\">\n- <name>BITMASK_CLASSNAME</name>\n- </member>\n- <member refid=\"tests_2bitmask_8h_1ac9fd19466a21d6fe2ef034facd484683\" kind=\"define\">\n- <name>BITMASK_TEST_P_</name>\n- </member>\n- <member refid=\"tests_2bitmask_8h_1a11f46d475da3b27c761458a85876ed82\" kind=\"define\">\n- <name>BITMASK_TEST_P</name>\n- </member>\n- </compound>\n <compound refid=\"bitmask128_8cpp\" kind=\"file\">\n <name>bitmask128.cpp</name>\n <member refid=\"bitmask128_8cpp_1ac010424c8bddcebd86a1b763e4b45b1e\" kind=\"define\">\n <name>BITMASK_SIZE</name>\n </member>\n </compound>\n <compound refid=\"bitmask32_8cpp\" kind=\"file\">\n@@ -104144,14 +104138,20 @@\n </compound>\n <compound refid=\"enumerationhelpers_8cpp\" kind=\"file\">\n <name>enumerationhelpers.cpp</name>\n </compound>\n <compound refid=\"fixedcapacityvector_8cpp\" kind=\"file\">\n <name>fixedcapacityvector.cpp</name>\n </compound>\n+ <compound refid=\"inmemoryserializer_8cpp\" kind=\"file\">\n+ <name>inmemoryserializer.cpp</name>\n+ </compound>\n+ <compound refid=\"tests_2inmemoryserializer_8cpp\" kind=\"file\">\n+ <name>inmemoryserializer.cpp</name>\n+ </compound>\n <compound refid=\"keyvaluetreeserializer_8cpp\" kind=\"file\">\n <name>keyvaluetreeserializer.cpp</name>\n <member refid=\"keyvaluetreeserializer_8cpp_1ad48ff27bd039835178a6bd8f572c831f\" kind=\"define\">\n <name>SERIALIZER</name>\n </member>\n </compound>\n <compound refid=\"tests_2keyvaluetreeserializer_8cpp\" kind=\"file\">\n"}]}]}, {"source1": "./usr/share/doc/gromacs/html/manual-2024.1-Debian_2024.1_1.pdf", "source2": "./usr/share/doc/gromacs/html/manual-2024.1-Debian_2024.1_1.pdf", "unified_diff": null, "details": [{"source1": "pdftotext {} -", "source2": "pdftotext {} -", "unified_diff": "@@ -17628,15 +17628,15 @@\n Dimitrios Karkoulis, Peter Kasson, Sebastian Kehl, Sebastian Keller, Jiri Kraus, Per Larsson, Viveca Lindahl,\n Erik Marklund, Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Michael Shirts, Alfons Sijbers, Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff, Jon Vincent, Teemu Virolainen, Christian Wennberg,\n Maarten Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen. Nijenborgh 4, 9747 AG Groningen,\n The Netherlands.\n-\u00a9 2001 \u2013 2025:\n+\u00a9 2001 \u2013 2024:\n The GROMACS development teams at the Royal Institute of Technology and Uppsala University,\n Sweden.\n This manual is not complete and has no pretension to be so due to lack of time of the contributors \u2013 our first\n priority is to improve the software. It is worked on continuously, which in some cases might mean the information\n is not entirely correct.\n Comments on form and content are welcome, please send them to the user discussion forum or the developer\n discussion forum (see our webpage or this section on how to contribute (page 620)), or open an issue on our issue\n"}]}, {"source1": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "source2": "./usr/share/doc/gromacs/html/reference-manual/preface.html", "has_internal_linenos": true, "unified_diff": "@@ -4115,15 +4115,15 @@\n 00010120: 2c20 556e 6976 6572 7369 7479 206f 6620 , University of \n 00010130: 4772 6f6e 696e 6765 6e2e 0a4e 696a 656e Groningen..Nijen\n 00010140: 626f 7267 6820 342c 2039 3734 3720 4147 borgh 4, 9747 AG\n 00010150: 2047 726f 6e69 6e67 656e 2c20 5468 6520 Groningen, The \n 00010160: 4e65 7468 6572 6c61 6e64 732e 3c2f 703e Netherlands.</p>\n 00010170: 0a3c 2f64 6976 3e3c 2f62 6c6f 636b 7175 .</div></blockqu\n 00010180: 6f74 653e 0a3c 703e c2a9 2032 3030 3120 ote>.<p>.. 2001 \n-00010190: e280 9320 3230 3235 3a3c 2f70 3e0a 3c62 ... 2025:</p>.<b\n+00010190: e280 9320 3230 3234 3a3c 2f70 3e0a 3c62 ... 2024:</p>.<b\n 000101a0: 6c6f 636b 7175 6f74 653e 0a3c 6469 763e lockquote>.<div>\n 000101b0: 3c70 3e54 6865 2047 524f 4d41 4353 2064 <p>The GROMACS d\n 000101c0: 6576 656c 6f70 6d65 6e74 2074 6561 6d73 evelopment teams\n 000101d0: 2061 7420 7468 6520 526f 7961 6c20 496e at the Royal In\n 000101e0: 7374 6974 7574 6520 6f66 2054 6563 686e stitute of Techn\n 000101f0: 6f6c 6f67 7920 616e 640a 5570 7073 616c ology and.Uppsal\n 00010200: 6120 556e 6976 6572 7369 7479 2c20 5377 a University, Sw\n", "details": [{"source1": "html2text {}", "source2": "html2text {}", "unified_diff": "@@ -436,15 +436,15 @@\n Pieter Meulenhoff, Teemu Murtola, Sander Pronk, Michael Shirts, Alfons Sijbers,\n Balint Soproni, David van der Spoel, Peter Tieleman, Carsten Uphoff, Jon\n Vincent, Teemu Virolainen, Christian Wennberg, Maarten Wolf, Artem Zhmurov\n Project leaders: Berk Hess, Erik Lindahl\n \u00a9 1991 \u2013 2000:\n Department of Biophysical Chemistry, University of Groningen.\n Nijenborgh 4, 9747 AG Groningen, The Netherlands.\n-\u00a9 2001 \u2013 2025:\n+\u00a9 2001 \u2013 2024:\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 \u2013 our first priority is to improve the software. 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353, 354, 355, 356, 357],\n \"public\": [1, 3, 6, 9, 12, 13, 14, 18, 19, 28, 30, 34, 40, 193, 194, 235, 313, 354, 356],\n \"applic\": [1, 4, 6, 8, 20, 39, 51, 106, 149, 158, 161, 179, 182, 190, 194, 196, 197, 200, 201, 203, 210, 262, 268, 327, 329, 351, 354, 357],\n \"program\": [1, 2, 9, 19, 22, 23, 30, 31, 36, 41, 42, 43, 45, 48, 49, 50, 63, 65, 67, 69, 72, 75, 77, 80, 83, 85, 87, 90, 93, 95, 99, 104, 106, 116, 121, 124, 127, 129, 130, 134, 135, 136, 137, 138, 140, 142, 143, 144, 145, 146, 148, 151, 152, 153, 154, 156, 157, 161, 162, 163, 166, 167, 168, 169, 170, 171, 172, 173, 174, 175, 176, 177, 179, 181, 182, 186, 190, 191, 192, 194, 211, 213, 217, 219, 221, 227, 229, 241, 246, 267, 311, 312, 342, 343, 344, 346, 347, 353, 354, 355, 357],\n \"gromac\": [1, 2, 3, 4, 5, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 31, 32, 33, 35, 36, 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, 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351, 352, 356, 357],\n \"user\": [1, 2, 3, 6, 7, 8, 9, 11, 16, 17, 20, 22, 25, 28, 29, 30, 31, 33, 34, 35, 37, 38, 39, 40, 51, 55, 72, 77, 78, 80, 89, 95, 101, 106, 125, 129, 135, 140, 144, 147, 148, 150, 151, 152, 153, 155, 176, 180, 181, 185, 189, 190, 191, 192, 193, 194, 196, 198, 204, 205, 206, 207, 210, 213, 217, 219, 221, 227, 228, 233, 234, 236, 242, 244, 245, 246, 248, 249, 250, 252, 253, 256, 262, 264, 266, 267, 268, 272, 273, 274, 275, 276, 278, 279, 283, 288, 291, 296, 303, 304, 305, 309, 310, 311, 312, 313, 319, 320, 327, 330, 331, 332, 334, 338, 339, 341, 342, 343, 344, 346, 350, 353, 354, 355, 357],\n \"option\": [1, 2, 4, 7, 8, 9, 11, 17, 19, 20, 22, 25, 26, 29, 30, 34, 35, 36, 38, 144, 146, 148, 149, 150, 152, 153, 155, 157, 162, 165, 166, 168, 174, 176, 178, 180, 182, 183, 185, 186, 190, 192, 193, 196, 197, 198, 199, 200, 201, 203, 205, 206, 207, 208, 209, 211, 213, 214, 215, 216, 218, 219, 221, 222, 223, 224, 225, 227, 229, 231, 232, 235, 236, 237, 242, 244, 246, 247, 252, 257, 276, 278, 279, 287, 289, 293, 303, 305, 311, 312, 313, 318, 321, 323, 331, 332, 342, 343, 347, 348, 352, 353, 354, 356, 357],\n \"build\": [1, 3, 4, 5, 6, 9, 10, 12, 13, 14, 15, 16, 17, 18, 19, 22, 23, 24, 27, 28, 30, 31, 32, 33, 34, 35, 36, 37, 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, 220, 221, 226, 227, 228, 230, 231, 232, 233, 234, 236, 238, 239, 240, 241, 242, 243, 244, 245, 246, 247, 248, 249, 252, 253, 254, 255, 256, 258, 259, 260, 261, 262, 263, 264, 265, 266, 269, 270, 271, 272, 273, 274, 275, 276, 278, 279, 280, 283, 284, 285, 286, 287, 289, 290, 291, 292, 293, 294, 295, 296, 298, 299, 300, 301, 302, 303, 304, 305, 306, 307, 308, 311, 314, 315, 316, 317, 318, 319, 320, 321, 322, 323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 350, 351, 352, 353, 354, 355, 356, 357],\n@@ -8355,14 +8354,15 @@\n \"parallez\": 222,\n \"flavour\": [222, 225],\n \"presum\": [222, 357],\n \"sm_60\": [222, 231],\n \"honour\": 222,\n \"gmx_maxconstrwarn\": [222, 342],\n \"2058\": 222,\n+ \"2025\": [222, 338],\n \"1ulp\": 222,\n \"wasn\": [222, 225, 241, 262, 297],\n \"4ulp\": 222,\n \"wallcycl\": [222, 353],\n \"2037\": [222, 238, 249],\n \"februari\": [223, 226, 239, 249, 254, 270, 300, 306, 321, 327],\n \"weakli\": [223, 231, 287],\n"}]}]}]}]}]}