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integration_test\n-000013b0: 733c 2f74 6578 743e 0a3c 2f61 3e0a 3c2f s</text>.</a>.</\n-000013c0: 673e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 g>.</g>.<!-- mod\n-000013d0: 756c 655f 7372 635f 7072 6f67 7261 6d73 ule_src_programs\n-000013e0: 5f6d 6472 756e 5f74 6573 7473 2623 3435 _mdrun_tests-\n-000013f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00001400: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00001410: 6f63 6573 7320 2d2d 3e0a 3c67 2069 643d ocess -->.<g id=\n-00001420: 2265 6467 6532 3731 2220 636c 6173 733d \"edge271\" class=\n-00001430: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00001440: 6f64 756c 655f 7372 635f 7072 6f67 7261 odule_src_progra\n-00001450: 6d73 5f6d 6472 756e 5f74 6573 7473 2623 ms_mdrun_tests&#\n-00001460: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00001470: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n-00001480: 7072 6f63 6573 733c 2f74 6974 6c65 3e0a process.\n-00001490: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-000015c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n-00001600: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00001610: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-00001620: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..<\n-00001680: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n-00001690: 3d22 6d69 6464 6c65 2220 783d 2232 3133 =\"middle\" x=\"213\n-000016a0: 3222 2079 3d22 2d31 3135 382e 3622 2066 2\" y=\"-1158.6\" f\n-000016b0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-000016c0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-000016d0: 2231 302e 3030 223e 676d 7861 6e61 3c2f \"10.00\">gmxana....modul\n-00001760: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n-00001770: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n-00001780: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00001790: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469 omacs_gmxana</ti\n-000017a0: 746c 653e 0a3c 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2066 696c title>.<path fil\n-00001a90: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00001aa0: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-00001ab0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00001ac0: 2064 3d22 4d32 3730 372e 3331 2c2d 3132 d=\"M2707.31,-12\n-00001ad0: 3735 2e38 3143 3236 3835 2e35 362c 2d31 75.81C2685.56,-1\n-00001ae0: 3236 382e 3739 2032 3636 312e 3838 2c2d 268.79 2661.88,-\n-00001af0: 3132 3537 2e30 3120 3236 3438 2c2d 3132 1257.01 2648,-12\n-00001b00: 3337 2e34 2032 3534 372e 3735 2c2d 3130 37.4 2547.75,-10\n-00001b10: 3935 2e37 3820 3236 3234 2c2d 3130 3231 95.78 2624,-1021\n-00001b20: 2e32 3520 3236 3234 2c2d 3834 372e 3735 .25 2624,-847.75\n-00001b30: 2032 3632 342c 2d38 3437 2e37 3520 3236 2624,-847.75 26\n-00001b40: 3234 2c2d 3834 372e 3735 2032 3632 342c 24,-847.75 2624,\n-00001b50: 2d34 3638 2e35 3320 3236 3234 2c2d 3435 -468.53 2624,-45\n-00001b60: 342e 3120 3236 3731 2e30 342c 2d34 3432 4.1 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743e 0a3c 2f67 3e0a 3c21 s....module_src_grom\n-00003200: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n-00003210: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00003220: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-00003230: 6e61 6d69 6373 3c2f 7469 746c 653e 0a3c namics.<\n-00003240: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00003250: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00003260: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00003270: 6179 3d22 352c 3222 2064 3d22 4d31 3231 ay=\"5,2\" d=\"M121\n-00003280: 382e 3435 2c2d 3130 3834 2e39 3143 3132 8.45,-1084.91C12\n-00003290: 3137 2e33 332c 2d31 3037 372e 3520 3132 17.33,-1077.5 12\n-000032a0: 3136 2e39 392c 2d31 3036 372e 3834 2031 16.99,-1067.84 1\n-000032b0: 3231 372e 3435 2c2d 3130 3539 2e30 3922 217.45,-1059.09\"\n-000032c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />...<\n-00003340: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00003350: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-00003360: 6974 7920 2d2d 3e0a 3c67 2069 643d 226e ity -->..modu\n-00003390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000033a0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n-000033b0: 6c65 3e0a 3c67 2069 643d 2261 5f6e 6f64 le>.<g id=\"a_nod\n-000033c0: 6531 3622 3e3c 6120 786c 696e 6b3a 6872 e16\"><a xlink:hr\n-000033d0: 6566 3d22 6772 6f75 705f 5f6d 6f64 756c ef=\"group__modul\n-000033e0: 655f 5f6d 6472 756e 7574 696c 6974 792e e__mdrunutility.\n-000033f0: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-00003400: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-00003410: 3d22 6d64 7275 6e75 7469 6c69 7479 223e =\"mdrunutility\">\n-00003420: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n-00003430: 2365 3563 6366 6622 2073 7472 6f6b 653d #e5ccff\" stroke=\n-00003440: 2262 6c61 636b 2220 6378 3d22 3135 3237 \"black\" cx=\"1527\n-00003450: 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cs_compat</title\n+00004f20: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00004f30: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00004f40: 6663 6322 2064 3d22 4d31 3632 312e 3638 fcc\" d=\"M1621.68\n+00004f50: 2c2d 3834 342e 3037 4331 3637 392e 3635 ,-844.07C1679.65\n+00004f60: 2c2d 3834 302e 3038 2031 3831 362e 3234 ,-840.08 1816.24\n+00004f70: 2c2d 3832 372e 3939 2031 3932 362e 3536 ,-827.99 1926.56\n+00004f80: 2c2d 3739 372e 3331 2032 3036 352e 3435 ,-797.31 2065.45\n+00004f90: 2c2d 3735 382e 3638 2032 3134 352e 3739 ,-758.68 2145.79\n+00004fa0: 2c2d 3739 312e 3635 2032 3232 352e 3536 ,-791.65 2225.56\n+00004fb0: 2c2d 3637 312e 3537 2032 3233 322e 3137 ,-671.57 2232.17\n+00004fc0: 2c2d 3636 312e 3632 2032 3232 362e 3332 ,-661.62 2226.32\n+00004fd0: 2c2d 3635 362e 3632 2032 3232 352e 3536 ,-656.62 2225.56\n+00004fe0: 2c2d 3634 342e 3720 3232 3230 2e32 322c ,-644.7 2220.22,\n+00004ff0: 2d35 3630 2e33 3720 3232 3235 2e33 392c -560.37 2225.39,\n+00005000: 2d35 3337 2e31 3620 3232 3031 2e35 362c -537.16 2201.56,\n+00005010: 2d34 3536 2e30 3920 3231 3932 2e38 332c -456.09 2192.83,\n+00005020: 2d34 3236 2e33 3920 3231 3633 2e36 322c -426.39 2163.62,\n+00005030: 2d33 3532 2e30 3720 3231 3431 2e35 362c -352.07 2141.56,\n+00005040: 2d33 3330 2e33 3520 3230 3431 2e36 372c -330.35 2041.67,\n+00005050: 2d32 3331 2e39 3920 3138 3736 2e31 372c -231.99 1876.17,\n+00005060: 2d31 3832 2e39 2031 3830 302e 3935 2c2d -182.9 1800.95,-\n+00005070: 3136 342e 3733 222f 3e0a 3c70 6f6c 7967 164.73\"/>.<polyg\n+00005080: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+00005090: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+000050a0: 6322 2070 6f69 6e74 733d 2231 3830 312e c\" points=\"1801.\n+000050b0: 3439 2c2d 3136 312e 3236 2031 3739 302e 49,-161.26 1790.\n+000050c0: 3935 2c2d 3136 322e 3337 2031 3739 392e 95,-162.37 1799.\n+000050d0: 3838 2c2d 3136 382e 3037 2031 3830 312e 88,-168.07 1801.\n+000050e0: 3439 2c2d 3136 312e 3236 222f 3e0a 3c2f 49,-161.26\"/>.</\n+000050f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00005100: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+00005110: 6220 2d2d 3e0a 3c67 2069 643d 226e 6f64 b -->.<g id=\"nod\n+00005120: 6533 3422 2063 6c61 7373 3d22 6e6f 6465 e34\" class=\"node\n+00005130: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00005140: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00005150: 6c69 623c 2f74 6974 6c65 3e0a 3c65 6c6c lib..g\n+00005210: 6d78 6c69 623c 2f74 6578 743e 0a3c 2f67 mxlib....module_\n+00005290: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+000052a0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+000052b0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000052c0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......m\n+00005650: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00005660: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n+00005670: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00005680: 6373 5f69 6d64 3c2f 7469 746c 653e 0a3c cs_imd.<\n+00005690: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000056a0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000056b0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000056c0: 6179 3d22 352c 3222 2064 3d22 4d31 3536 ay=\"5,2\" d=\"M156\n+000056d0: 352e 3338 2c2d 3834 342e 3439 4331 3530 5.38,-844.49C150\n+000056e0: 362e 3439 2c2d 3834 312e 3039 2031 3336 6.49,-841.09 136\n+000056f0: 372e 3633 2c2d 3832 392e 3731 2031 3235 7.63,-829.71 125\n+00005700: 362e 3536 2c2d 3739 372e 3331 2031 3232 6.56,-797.31 122\n+00005710: 382e 3531 2c2d 3738 392e 3133 2031 3232 8.51,-789.13 122\n+00005720: 342e 3931 2c2d 3737 372e 3520 3131 3936 4.91,-777.5 1196\n+00005730: 2e35 362c 2d37 3730 2e34 3420 3131 3338 .56,-770.44 1138\n+00005740: 2e37 352c 2d37 3536 2e30 3420 3730 382e .75,-756.04 708.\n+00005750: 3138 2c2d 3737 312e 3534 2036 3631 2e35 18,-771.54 661.5\n+00005760: 362c 2d37 3334 2e34 3420 3538 302e 322c 6,-734.44 580.2,\n+00005770: 2d36 3639 2e36 3920 3535 392e 3031 2c2d -669.69 559.01,-\n+00005780: 3334 312e 3937 2036 3331 2e35 362c 2d32 341.97 631.56,-2\n+00005790: 3637 2e34 3820 3638 312e 3935 2c2d 3231 67.48 681.95,-21\n+000057a0: 352e 3734 2038 3936 2e38 372c 2d32 3734 5.74 896.87,-274\n+000057b0: 2e39 3420 3935 342e 3536 2c2d 3233 312e .94 954.56,-231.\n+000057c0: 3438 2039 3731 2e33 2c2d 3231 382e 3837 48 971.3,-218.87\n+000057d0: 2039 3739 2e30 352c 2d31 3935 2e36 3120 979.05,-195.61 \n+000057e0: 3938 342e 3335 2c2d 3137 382e 3237 222f 984.35,-178.27\"/\n+000057f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >..<\n+00005860: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+000058b0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+000058c0: 786d 3c2f 7469 746c 653e 0a3c 6720 6964 xm...n\n+000059e0: 626e 786d 3c2f 7465 7874 3e0a 3c2f 613e bnxm.\n+000059f0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_gro\n+00005a70: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00005a80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00005a90: 6f6d 6163 735f 6e62 6e78 6d3c 2f74 6974 omacs_nbnxm.....<\n+00005c80: 6720 6964 3d22 6564 6765 3422 2063 6c61 g id=\"edge4\" cla\n+00005c90: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.module_src_gro\n+00005cb0: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00005cc0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00005cd0: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+00005ce0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......modul\n+00006020: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00006030: 626c 6573 3c2f 7469 746c 653e 0a3c 6720 bles...tables.<\n+00006160: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....<\n+000061d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000061e0: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+000061f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00006200: 635f 6772 6f6d 6163 735f 7461 626c 6573 c_gromacs_tables\n+00006210: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+00006490: 0a3c 6720 6964 3d22 6564 6765 3722 2063 ..module_src_g\n+000064c0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+000064d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000064e0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+000064f0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine.....\n+00006660: 3c67 2069 643d 2265 6467 6531 3122 2063 .module_src_g\n+00006690: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+000066a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000066b0: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald......modu\n+00006850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00006860: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+00006870: 683c 2f74 6974 6c65 3e0a 3c67 2069 643d h...awh......\n+00006a10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00006a20: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+00006a30: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00006a40: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00006a50: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c es_awh.<\n+00006a60: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00006a70: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00006a80: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00006a90: 6179 3d22 352c 3222 2064 3d22 4d31 3536 ay=\"5,2\" d=\"M156\n+00006aa0: 362e 3131 2c2d 3834 332e 3443 3134 3836 6.11,-843.4C1486\n+00006ab0: 2e39 312c 2d38 3336 2e36 2031 3235 312e .91,-836.6 1251.\n+00006ac0: 3132 2c2d 3831 362e 3136 2031 3035 352e 12,-816.16 1055.\n+00006ad0: 3536 2c2d 3739 372e 3331 2031 3032 372c 56,-797.31 1027,\n+00006ae0: 2d37 3934 2e35 3620 3939 342e 3636 2c2d -794.56 994.66,-\n+00006af0: 3739 312e 3232 2039 3730 2e36 312c 2d37 791.22 970.61,-7\n+00006b00: 3838 2e37 222f 3e0a 3c70 6f6c 7967 6f6e 88.7\"/>.....modu\n+00006de0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00006df0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00006e00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00006e10: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n+00006e20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00006e30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00006e40: 2362 6662 6662 6622 2064 3d22 4d31 3530 #bfbfbf\" d=\"M150\n+00006e50: 372e 3734 2c2d 3130 3231 2e38 3243 3135 7.74,-1021.82C15\n+00006e60: 3233 2e31 392c 2d39 3930 2e34 3820 3135 23.19,-990.48 15\n+00006e70: 3633 2e36 342c 2d39 3038 2e34 3320 3135 63.64,-908.43 15\n+00006e80: 3832 2e39 382c 2d38 3639 2e32 3122 2f3e 82.98,-869.21\"/>\n+00006e90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00006ea0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00006eb0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+00006ec0: 3d22 3135 3836 2e31 322c 2d38 3730 2e37 =\"1586.12,-870.7\n+00006ed0: 3420 3135 3837 2e34 312c 2d38 3630 2e32 4 1587.41,-860.2\n+00006ee0: 3320 3135 3739 2e38 352c 2d38 3637 2e36 3 1579.85,-867.6\n+00006ef0: 3520 3135 3836 2e31 322c 2d38 3730 2e37 5 1586.12,-870.7\n+00006f00: 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 4\"/>.</g>.<!-- m\n+00006f10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006f20: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00006f30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00006f40: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00006f50: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00006f60: 6765 3330 2220 636c 6173 733d 2265 6467 ge30\" class=\"edg\n+00006f70: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00006f80: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00006f90: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00006fa0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00006fb0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+00006fc0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00006fd0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00006fe0: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n+00006ff0: 3431 2e34 2c2d 3130 3235 2e34 3743 3135 41.4,-1025.47C15\n+00007000: 3735 2e30 322c 2d31 3031 372e 3239 2031 75.02,-1017.29 1\n+00007010: 3632 342e 3031 2c2d 3130 3033 2e37 3220 624.01,-1003.72 \n+00007020: 3136 3634 2e35 362c 2d39 3835 2e39 3220 1664.56,-985.92 \n+00007030: 3136 3835 2e38 392c 2d39 3736 2e35 3620 1685.89,-976.56 \n+00007040: 3136 3839 2e33 352c 2d39 3730 2e36 3420 1689.35,-970.64 \n+00007050: 3137 3039 2e35 362c 2d39 3539 2e30 3520 1709.56,-959.05 \n+00007060: 3137 3239 2e32 322c 2d39 3437 2e37 3820 1729.22,-947.78 \n+00007070: 3137 3531 2e35 392c 2d39 3335 2e34 3720 1751.59,-935.47 \n+00007080: 3137 3638 2e38 362c 2d39 3236 2e30 3822 1768.86,-926.08\"\n+00007090: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000070a0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+000070b0: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+000070c0: 7473 3d22 3137 3730 2e37 352c 2d39 3239 ts=\"1770.75,-929\n+000070d0: 2e30 3420 3137 3737 2e38 382c 2d39 3231 .04 1777.88,-921\n+000070e0: 2e31 3920 3137 3637 2e34 322c 2d39 3232 .19 1767.42,-922\n+000070f0: 2e38 3820 3137 3730 2e37 352c 2d39 3239 .88 1770.75,-929\n+00007100: 2e30 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .04\"/>.</g>.<!--\n+00007110: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00007120: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00007130: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00007140: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00007150: 616e 6120 2d2d 3e0a 3c67 2069 643d 2265 ana -->.<g id=\"e\n+00007160: 6467 6533 3322 2063 6c61 7373 3d22 6564 dge33\" class=\"ed\n 00007170: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n 00007180: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n 00007190: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n 000071a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000071b0: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-000071c0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-000071d0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000071e0: 2362 6662 6662 6622 2064 3d22 4d31 3232 #bfbfbf\" d=\"M122\n-000071f0: 342c 2d31 3231 302e 3139 4331 3232 342c 4,-1210.19C1224,\n-00007200: 2d31 3138 392e 3333 2031 3232 342c 2d31 -1189.33 1224,-1\n-00007210: 3134 372e 3731 2031 3232 342c 2d31 3132 147.71 1224,-112\n-00007220: 312e 3739 222f 3e0a 3c70 6f6c 7967 6f6e 1.79\"/>.<polygon\n-00007230: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00007240: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n-00007250: 2070 6f69 6e74 733d 2231 3232 372e 352c points=\"1227.5,\n-00007260: 2d31 3132 312e 3735 2031 3232 342c 2d31 -1121.75 1224,-1\n-00007270: 3131 312e 3735 2031 3232 302e 352c 2d31 111.75 1220.5,-1\n-00007280: 3132 312e 3735 2031 3232 372e 352c 2d31 121.75 1227.5,-1\n-00007290: 3132 312e 3735 222f 3e0a 3c2f 673e 0a3c 121.75\"/>.</g>.<\n-000072a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000072b0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-000072c0: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-000072d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000072e0: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964 gmxana -->.<g id\n-000072f0: 3d22 6564 6765 3334 2220 636c 6173 733d =\"edge34\" class=\n-00007300: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00007310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007320: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00007330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00007340: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-00007350: 613c 2f74 6974 6c65 3e0a 3c70 6174 6820 a...<\n-00007470: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n-000074c0: 3c67 2069 643d 2265 6467 6533 3222 2063 .module_src_g\n-000074f0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00007500: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00007510: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007520: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n-00007530: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00007540: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00007550: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n-00007560: 3d22 352c 3222 2064 3d22 4d31 3136 352e =\"5,2\" d=\"M1165.\n-00007570: 3431 2c2d 3132 3232 2e37 3743 3130 3034 41,-1222.77C1004\n-00007580: 2e32 322c 2d31 3232 312e 3639 2035 3536 .22,-1221.69 556\n-00007590: 2e37 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352e 3437 7,-229.11 805.47\n-00007680: 2c2d 3233 302e 3537 2038 3038 2e36 372c ,-230.57 808.67,\n-00007690: 2d32 3336 2e37 3922 2f3e 0a3c 2f67 3e0a -236.79\"/>..\n-000076a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-00007900: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007910: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n-00007920: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00007930: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00007940: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c.....<\n-00007b00: 6720 6964 3d22 6e6f 6465 3231 2220 636c g id=\"node21\" cl\n-00007b10: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-00007b30: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974 omacs_mdrun...\n-00007c50: 6d64 7275 6e3c 2f74 6578 743e 0a3c 2f61 mdrun......modul\n-00007ce0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00007cf0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00007d00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00007d10: 726f 6d61 6373 5f6d 6472 756e 3c2f 7469 romacs_mdrun</ti\n-00007d20: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00007d30: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00007d40: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00007d50: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00007d60: 3d22 4d31 3136 372e 3636 2c2d 3132 3230 =\"M1167.66,-1220\n-00007d70: 2e30 3343 3939 372e 3239 2c2d 3132 3039 .03C997.29,-1209\n-00007d80: 2e38 3420 3439 332e 3235 2c2d 3131 3639 .84 493.25,-1169\n-00007d90: 2e38 3220 3339 352c 2d31 3034 382e 3739 .82 395,-1048.79\n-00007da0: 2033 3837 2e34 372c 2d31 3033 392e 3532 387.47,-1039.52\n-00007db0: 2033 3839 2e32 382c 2d31 3033 322e 3431 389.28,-1032.41\n-00007dc0: 2033 3935 2c2d 3130 3231 2e39 3220 3431 395,-1021.92 41\n-00007dd0: 342e 3331 2c2d 3938 362e 3531 2036 3534 4.31,-986.51 654\n-00007de0: 2e37 322c 2d38 3436 2e37 3820 3733 362e 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2220 636c 6173 733d 2265 6467 6522 36\" class=\"edge\"\n-00007ee0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00007ef0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-00007f00: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&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......module_src_gro\n-00008190: 6d61 6373 5f66 6674 3c2f 7469 746c 653e macs_fft\n-000081a0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..fft\n-00008250: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....module\n-000082d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000082e0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-000082f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00008300: 6f6d 6163 735f 6666 743c 2f74 6974 6c65 omacs_fft</title\n-00008310: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path 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6365 7373 2623 3435 3b26 6774 eprocess->\n-00008c60: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00008c70: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-00008c80: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00008c90: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-00008ca0: 6266 6266 2220 643d 224d 3131 3635 2e37 bfbf\" d=\"M1165.7\n-00008cb0: 342c 2d31 3232 3243 3937 392e 3232 2c2d 4,-1222C979.22,-\n-00008cc0: 3132 3138 2e35 3920 3430 342e 3431 2c2d 1218.59 404.41,-\n-00008cd0: 3132 3035 2e36 3720 3332 372c 2d31 3137 1205.67 327,-117\n-00008ce0: 342e 3533 2032 3235 2e35 312c 2d31 3133 4.53 225.51,-113\n-00008cf0: 332e 3720 3138 352c 2d31 3038 322e 3838 3.7 185,-1082.88\n-00008d00: 2031 3835 2c2d 3937 332e 3439 2031 3835 185,-973.49 185\n-00008d10: 2c2d 3937 332e 3439 2031 3835 2c2d 3937 ,-973.49 185,-97\n-00008d20: 332e 3439 2031 3835 2c2d 3732 302e 3031 3.49 185,-720.01\n-00008d30: 2031 3835 2c2d 3633 362e 3539 2031 3635 185,-636.59 165\n-00008d40: 2c2d 3631 362e 3831 2031 3635 2c2d 3533 ,-616.81 165,-53\n-00008d50: 332e 3420 3136 352c 2d35 3333 2e34 2031 3.4 165,-533.4 1\n-00008d60: 3635 2c2d 3533 332e 3420 3136 352c 2d33 65,-533.4 165,-3\n-00008d70: 3432 2e37 3920 3136 352c 2d32 3738 2e35 42.79 165,-278.5\n-00008d80: 2033 3139 2e32 392c 2d31 3438 2e31 3520 319.29,-148.15 \n-00008d90: 3333 322c 2d31 3431 2e37 3420 3338 392e 332,-141.74 389.\n-00008da0: 3338 2c2d 3131 322e 3832 2035 3738 2e39 38,-112.82 578.9\n-00008db0: 362c 2d39 392e 3734 2036 3633 2e35 382c 6,-99.74 663.58,\n-00008dc0: 2d39 352e 3234 222f 3e0a 3c70 6f6c 7967 -95.24\"/>.<polyg\n-00008dd0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-00008de0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-00008df0: 6622 2070 6f69 6e74 733d 2236 3633 2e38 f\" points=\"663.8\n-00008e00: 2c2d 3938 2e37 3320 3637 332e 362c 2d39 ,-98.73 673.6,-9\n-00008e10: 342e 3732 2036 3633 2e34 342c 2d39 312e 4.72 663.44,-91.\n-00008e20: 3734 2036 3633 2e38 2c2d 3938 2e37 3322 74 663.8,-98.73\"\n-00008e30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00008e40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00008e50: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n-00008e60: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00008e70: 5f67 726f 6d61 6373 5f69 6d64 202d 2d3e _gromacs_imd -->\n-00008e80: 0a3c 6720 6964 3d22 6564 6765 3237 2220 .<g id=\"edge27\" \n-00008e90: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00008ea0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00008eb0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00008ec0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00008ed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00008ee0: 5f69 6d64 3c2f 7469 746c 653e 0a3c 7061 _imd..\n-00009090: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n-00009110: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00009120: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00009130: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00009140: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00009150: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......modu\n-00009340: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00009350: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00009360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00009370: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n-00009380: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00009390: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-000093a0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-000093b0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-000093c0: 643d 224d 3131 3637 2e31 362c 2d31 3232 d=\"M1167.16,-122\n-000093d0: 302e 3335 4331 3033 362e 382c 2d31 3231 0.35C1036.8,-121\n-000093e0: 342e 3034 2037 3139 2e35 2c2d 3131 3936 4.04 719.5,-1196\n-000093f0: 2e38 3420 3631 352c 2d31 3137 342e 3533 .84 615,-1174.53\n-00009400: 2035 3333 2e33 362c 2d31 3135 372e 3120 533.36,-1157.1 \n-00009410: 3530 362e 342c 2d31 3135 392e 3532 2034 506.4,-1159.52 4\n-00009420: 3338 2c2d 3131 3131 2e36 3620 3239 382e 38,-1111.66 298.\n-00009430: 3731 2c2d 3130 3134 2e32 2033 3836 2e39 71,-1014.2 386.9\n-00009440: 372c 2d37 3538 2e33 3220 3431 372e 3637 7,-758.32 417.67\n-00009450: 2c2d 3638 312e 3335 222f 3e0a 3c70 6f6c ,-681.35\"/>.<pol\n-00009460: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00009470: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00009480: 6663 6322 2070 6f69 6e74 733d 2234 3231 fcc\" points=\"421\n-00009490: 2e30 372c 2d36 3832 2e32 3920 3432 312e .07,-682.29 421.\n-000094a0: 3539 2c2d 3637 312e 3731 2034 3134 2e35 59,-671.71 414.5\n-000094b0: 382c 2d36 3739 2e36 3620 3432 312e 3037 8,-679.66 421.07\n-000094c0: 2c2d 3638 322e 3239 222f 3e0a 3c2f 673e 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3b6d 6f64 756c 655f 7372 45;>module_sr\n-00009750: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-00009760: 645f 666f 7263 6573 5f61 7768 3c2f 7469 d_forces_awh</ti\n-00009770: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00009780: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00009790: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-000097a0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-000097b0: 3d22 4d31 3238 322e 3032 2c2d 3132 3231 =\"M1282.02,-1221\n-000097c0: 2e37 3343 3134 3339 2e34 352c 2d31 3231 .73C1439.45,-121\n-000097d0: 372e 3939 2031 3836 362e 3634 2c2d 3132 7.99 1866.64,-12\n-000097e0: 3035 2e31 3120 3139 3232 2c2d 3131 3734 05.11 1922,-1174\n-000097f0: 2e35 3320 3139 3538 2e32 382c 2d31 3135 .53 1958.28,-115\n-00009800: 342e 3439 2031 3937 372c 2d31 3134 302e 4.49 1977,-1140.\n-00009810: 3637 2031 3937 372c 2d31 3039 392e 3233 67 1977,-1099.23\n-00009820: 2031 3937 372c 2d31 3039 392e 3233 2031 1977,-1099.23 1\n-00009830: 3937 372c 2d31 3039 392e 3233 2031 3937 977,-1099.23 197\n-00009840: 372c 2d31 3033 342e 3336 2031 3937 372c 7,-1034.36 1977,\n-00009850: 2d39 3632 2e33 3920 3138 3739 2e32 392c -962.39 1879.29,\n-00009860: 2d39 3239 2e37 3420 3138 3235 2e35 312c -929.74 1825.51,\n-00009870: 2d39 3137 2e32 3222 2f3e 0a3c 706f 6c79 -917.22\"/>.<poly\n-00009880: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-00009890: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-000098a0: 6363 2220 706f 696e 7473 3d22 3138 3236 cc\" points=\"1826\n-000098b0: 2e32 322c 2d39 3133 2e37 3920 3138 3135 .22,-913.79 1815\n-000098c0: 2e37 2c2d 3931 352e 3035 2031 3832 342e .7,-915.05 1824.\n-000098d0: 372c 2d39 3230 2e36 3320 3138 3236 2e32 7,-920.63 1826.2\n-000098e0: 322c 2d39 3133 2e37 3922 2f3e 0a3c 2f67 2,-913.79\"/>.</g\n-000098f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00009900: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-00009910: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00009920: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00009930: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-00009940: 6534 3622 2063 6c61 7373 3d22 6564 6765 e46\" class=\"edge\n-00009950: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00009960: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-00009970: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-00009980: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00009990: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib......\n-00009af0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00009b00: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-00009b10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00009b20: 6d61 6373 5f72 616e 646f 6d3c 2f74 6974 macs_random</tit\n-00009b30: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00009b40: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" 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3435 2e36 372c 2d35 3834 2e33 3120 2045.67,-584.31 \n-00009c40: 3230 3432 2e39 312c 2d35 3536 2e37 2032 2042.91,-556.7 2\n-00009c50: 3039 322c 2d35 3138 2e39 3620 3231 3630 092,-518.96 2160\n-00009c60: 2e38 332c 2d34 3636 2e30 3420 3232 3036 .83,-466.04 2206\n-00009c70: 2e35 372c 2d35 3232 2e32 3420 3232 3834 .57,-522.24 2284\n-00009c80: 2c2d 3438 322e 3936 2032 3337 352e 3532 ,-482.96 2375.52\n-00009c90: 2c2d 3433 362e 3533 2032 3433 382e 3534 ,-436.53 2438.54\n-00009ca0: 2c2d 3334 312e 3037 2032 3336 372c 2d32 ,-341.07 2367,-2\n-00009cb0: 3637 2e34 3820 3233 3432 2e33 2c2d 3234 67.48 2342.3,-24\n-00009cc0: 322e 3038 2031 3132 372e 342c 2d32 3332 2.08 1127.4,-232\n-00009cd0: 2e38 3420 3130 3932 2c2d 3233 312e 3438 .84 1092,-231.48\n-00009ce0: 2031 3031 372e 3534 2c2d 3232 382e 3632 1017.54,-228.62\n-00009cf0: 2039 3330 2e39 352c 2d32 3234 2e31 3820 930.95,-224.18 \n-00009d00: 3837 392e 3936 2c2d 3232 312e 3435 222f 879.96,-221.45\"/\n-00009d10: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d 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0a3c 2f67 3e0a 3c21 2d2d /text>..\n-00009ef0: 0a3c 6720 6964 3d22 6564 6765 3531 2220 ..module_src_\n-00009f20: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n-00009f30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00009f40: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-00009f50: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n-0000a1a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000a1b0: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-0000a1c0: 6f6e 6675 6e63 7469 6f6e 7320 2d2d 3e0a onfunctions -->.\n-0000a1d0: 3c67 2069 643d 226e 6f64 6531 3122 2063 .module_src_g\n-0000a200: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-0000a210: 6f6e 6675 6e63 7469 6f6e 733c 2f74 6974 onfunctions.\n-0000a2a0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..\n-0000a350: 636f 7272 656c 6174 696f 6e66 756e 6374 correlationfunct\n-0000a360: 696f 6e73 3c2f 7465 7874 3e0a 3c2f 613e ions.\n-0000a370: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....module_src_gro\n-0000a400: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000a410: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000a420: 726f 6d61 6373 5f63 6f72 7265 6c61 7469 romacs_correlati\n-0000a430: 6f6e 6675 6e63 7469 6f6e 733c 2f74 6974 onfunctions....\n-0000a590: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n-0000a600: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000a610: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-0000a620: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000a630: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-0000a640: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es...<\n-0000a870: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n-0000a8e0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000a8f0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-0000a900: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0000a910: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft......modul\n-0000aad0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000aae0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-0000aaf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ab00: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-0000ab10: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000ab20: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000ab30: 2220 643d 224d 3231 3336 2e39 332c 2d31 \" d=\"M2136.93,-1\n-0000ab40: 3134 372e 3432 4332 3134 302e 3635 2c2d 147.42C2140.65,-\n-0000ab50: 3131 3337 2e36 3820 3231 3435 2e38 332c 1137.68 2145.83,\n-0000ab60: 2d31 3132 332e 3839 2032 3135 302c 2d31 -1123.89 2150,-1\n-0000ab70: 3131 312e 3636 2032 3136 372e 3436 2c2d 111.66 2167.46,-\n-0000ab80: 3130 3630 2e34 3920 3233 3036 2e31 332c 1060.49 2306.13,\n-0000ab90: 2d36 3935 2e32 3820 3232 3837 2c2d 3634 -695.28 2287,-64\n-0000aba0: 342e 3720 3232 3630 2e36 332c 2d35 3734 4.7 2260.63,-574\n-0000abb0: 2e39 3820 3232 3332 2e36 392c 2d35 3637 .98 2232.69,-567\n-0000abc0: 2e33 3620 3231 3736 2c2d 3531 382e 3936 .36 2176,-518.96\n-0000abd0: 2032 3133 362e 3336 2c2d 3438 352e 3132 2136.36,-485.12\n-0000abe0: 2032 3132 342e 3438 2c2d 3437 372e 3539 2124.48,-477.59\n-0000abf0: 2032 3037 372c 2d34 3536 2e30 3920 3230 2077,-456.09 20\n-0000ac00: 3235 2e31 312c 2d34 3332 2e35 3920 3230 25.11,-432.59 20\n-0000ac10: 3033 2e37 382c 2d34 3437 2e37 3820 3139 03.78,-447.78 19\n-0000ac20: 3534 2c2d 3432 302e 3039 2031 3933 382e 54,-420.09 1938.\n-0000ac30: 3336 2c2d 3431 312e 3339 2031 3934 302e 36,-411.39 1940.\n-0000ac40: 3134 2c2d 3430 302e 3936 2031 3932 342c 14,-400.96 1924,\n-0000ac50: 2d33 3933 2e32 3220 3138 3335 2e34 352c -393.22 1835.45,\n-0000ac60: 2d33 3530 2e37 3720 3138 3031 2e31 392c -350.77 1801.19,\n-0000ac70: 2d33 3831 2e33 3420 3137 3036 2c2d 3335 -381.34 1706,-35\n-0000ac80: 372e 3232 2031 3730 342e 3238 2c2d 3335 7.22 1704.28,-35\n-0000ac90: 362e 3738 2031 3730 322e 3533 2c2d 3335 6.78 1702.53,-35\n-0000aca0: 362e 3320 3137 3030 2e37 372c 2d33 3535 6.3 1700.77,-355\n-0000acb0: 2e37 3922 2f3e 0a3c 706f 6c79 676f 6e20 .79\"/>...\n-0000ad30: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n-0000ada0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0000adb0: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n-0000adc0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000add0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib..\n-0000afa0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..<\n-0000b010: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b020: 726f 6d61 6373 5f73 7461 7469 7374 6963 romacs_statistic\n-0000b030: 7320 2d2d 3e0a 3c67 2069 643d 226e 6f64 s -->..module\n-0000b060: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n-0000b070: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics.\n-0000b080: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .st\n-0000b130: 6174 6973 7469 6373 3c2f 7465 7874 3e0a atistics.\n-0000b140: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0000b1c0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000b1d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000b1e0: 726f 6d61 6373 5f73 7461 7469 7374 6963 romacs_statistic\n-0000b1f0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s...\n-0000b400: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0000b480: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n-0000b490: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000b4a0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0000b4b0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y..\n-0000b730: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-0000b780: 3c67 2069 643d 2265 6467 6533 3922 2063 .module_src_g\n-0000b7b0: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n-0000b7c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b7d0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-0000b7e0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line...\n-0000b960: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-0000b9d0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-0000b9e0: 7861 6e61 2623 3435 3b26 6774 3b6d 6f64 xana->mod\n-0000b9f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ba00: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-0000ba10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0000baf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-0000bb70: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000bb80: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n-0000bb90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n-0000bba0: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n-0000bbb0: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h...<\n-0000bd10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n-0000bd70: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n-0000bd80: 613c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 a.\n-0000bde0: 0a3c 7465 7874 2074 6578 742d 616e 6368 .linea\n-0000be40: 7261 6c67 6562 7261 3c2f 7465 7874 3e0a ralgebra.\n-0000be50: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n-0000bea0: 7372 635f 6772 6f6d 6163 735f 6d61 7468 src_gromacs_math\n-0000beb0: 3c2f 7469 746c 653e 0a3c 656c 6c69 7073 ..math.<\n-0000bf70: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-0000bfe0: 655f 7372 635f 6772 6f6d 6163 735f 6d61 e_src_gromacs_ma\n-0000bff0: 7468 2623 3435 3b26 6774 3b6d 6f64 756c th->modul\n-0000c000: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000c010: 7370 616e 3c2f 7469 746c 653e 0a3c 7061 span.\n-0000c080: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0000c0f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-0000c170: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n-0000c180: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n-0000c190: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000c1a0: 5f73 7263 5f67 726f 6d61 6373 5f66 6674 _src_gromacs_fft\n-0000c1b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n-0000c310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000c320: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n-0000c330: 6e63 7469 6f6e 7326 2334 353b 2667 743b nctions->\n-0000c340: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000c350: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-0000c360: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000c370: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000c380: 6662 6622 2064 3d22 4d32 3230 362e 3236 fbf\" d=\"M2206.26\n-0000c390: 2c2d 3634 342e 3336 4332 3230 342e 3037 ,-644.36C2204.07\n-0000c3a0: 2c2d 3631 372e 3733 2032 3139 352e 3435 ,-617.73 2195.45\n-0000c3b0: 2c2d 3535 352e 3732 2032 3136 322c 2d35 ,-555.72 2162,-5\n-0000c3c0: 3138 2e39 3620 3230 3837 2e36 372c 2d34 18.96 2087.67,-4\n-0000c3d0: 3337 2e32 3620 3230 3237 2c2d 3437 392e 37.26 2027,-479.\n-0000c3e0: 3637 2031 3933 342c 2d34 3230 2e30 3920 67 1934,-420.09 \n-0000c3f0: 3139 3138 2e39 332c 2d34 3130 2e34 3320 1918.93,-410.43 \n-0000c400: 3139 3230 2e30 382c 2d34 3031 2e30 3920 1920.08,-401.09 \n-0000c410: 3139 3034 2c2d 3339 332e 3232 2031 3832 1904,-393.22 182\n-0000c420: 332e 3636 2c2d 3335 332e 3920 3137 3932 3.66,-353.9 1792\n-0000c430: 2e35 322c 2d33 3739 2e38 3920 3137 3036 .52,-379.89 1706\n-0000c440: 2c2d 3335 372e 3232 2031 3730 342e 3238 ,-357.22 1704.28\n-0000c450: 2c2d 3335 362e 3737 2031 3730 322e 3533 ,-356.77 1702.53\n-0000c460: 2c2d 3335 362e 3238 2031 3730 302e 3737 ,-356.28 1700.77\n-0000c470: 2c2d 3335 352e 3736 222f 3e0a 3c70 6f6c ,-355.76\"/>.<pol\n-0000c480: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-0000c490: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-0000c4a0: 6662 6622 2070 6f69 6e74 733d 2231 3730 fbf\" points=\"170\n-0000c4b0: 312e 3336 2c2d 3335 322e 3237 2031 3639 1.36,-352.27 169\n-0000c4c0: 302e 3737 2c2d 3335 322e 3536 2031 3639 0.77,-352.56 169\n-0000c4d0: 392e 3233 2c2d 3335 382e 3934 2031 3730 9.23,-358.94 170\n-0000c4e0: 312e 3336 2c2d 3335 322e 3237 222f 3e0a 1.36,-352.27\"/>.\n-0000c4f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0000c500: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n-0000c510: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n-0000c520: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000c530: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0000c540: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720 mandline -->.<g \n-0000c550: 6964 3d22 6564 6765 3535 2220 636c 6173 id=\"edge55\" clas\n-0000c560: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0000c570: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000c580: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n-0000c590: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n-0000c5a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000c5b0: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n-0000c5c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000c5d0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000c5e0: 3d22 2332 3832 6663 6322 2064 3d22 4d32 =\"#282fcc\" d=\"M2\n-0000c5f0: 3137 322e 362c 2d36 3436 2e33 3643 3230 172.6,-646.36C20\n-0000c600: 3637 2e33 332c 2d36 3133 2e31 3920 3137 67.33,-613.19 17\n-0000c610: 3534 2e33 382c 2d35 3133 2e30 3120 3137 54.38,-513.01 17\n-0000c620: 3137 2c2d 3438 322e 3936 2031 3639 392e 17,-482.96 1699.\n-0000c630: 3439 2c2d 3436 382e 3839 2031 3638 362e 49,-468.89 1686.\n-0000c640: 3639 2c2d 3434 362e 3433 2031 3637 382e 69,-446.43 1678.\n-0000c650: 392c 2d34 3239 2e36 3922 2f3e 0a3c 706f 9,-429.69\"/>.<po\n-0000c660: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n-0000c670: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n-0000c680: 3266 6363 2220 706f 696e 7473 3d22 3136 2fcc\" points=\"16\n-0000c690: 3831 2e39 332c 2d34 3237 2e38 3920 3136 81.93,-427.89 16\n-0000c6a0: 3734 2e37 312c 2d34 3230 2e31 3420 3136 74.71,-420.14 16\n-0000c6b0: 3735 2e35 322c 2d34 3330 2e37 3120 3136 75.52,-430.71 16\n-0000c6c0: 3831 2e39 332c 2d34 3237 2e38 3922 2f3e 81.93,-427.89\"/>\n-0000c6d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0000c6e0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-0000c6f0: 6c6c 696e 6720 2d2d 3e0a 3c67 2069 643d lling -->.<g id=\n-0000c700: 226e 6f64 6531 3222 2063 6c61 7373 3d22 \"node12\" class=\"\n-0000c710: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n-0000c720: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c730: 5f70 756c 6c69 6e67 3c2f 7469 746c 653e _pulling\n-0000c740: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..pu\n-0000c7f0: 6c6c 696e 673c 2f74 6578 743e 0a3c 2f67 lling....modul\n-0000c870: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-0000c880: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-0000c890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c8a0: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-0000c8b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000c8c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000c8d0: 2220 643d 224d 3733 312e 3937 2c2d 3232 \" d=\"M731.97,-22\n-0000c8e0: 382e 3632 4336 3736 2e33 362c 2d32 3536 8.62C676.36,-256\n-0000c8f0: 2e31 3720 3531 382e 3338 2c2d 3334 312e .17 518.38,-341.\n-0000c900: 3037 2034 3331 2c2d 3435 362e 3039 2033 07 431,-456.09 3\n-0000c910: 3530 2e39 342c 2d35 3631 2e34 3720 3237 50.94,-561.47 27\n-0000c920: 302e 3234 2c2d 3936 352e 3339 2033 3733 0.24,-965.39 373\n-0000c930: 2c2d 3130 3438 2e37 3920 3433 362e 362c ,-1048.79 436.6,\n-0000c940: 2d31 3130 302e 3431 2031 3032 362e 3737 -1100.41 1026.77\n-0000c950: 2c2d 3130 3938 2e39 3720 3131 3835 2e30 ,-1098.97 1185.0\n-0000c960: 382c 2d31 3039 372e 3634 222f 3e0a 3c70 8,-1097.64\"/>.....module\n-0000ca60: 5f73 7263 5f67 726f 6d61 6373 5f70 756c _src_gromacs_pul\n-0000ca70: 6c69 6e67 2623 3435 3b26 6774 3b6d 6f64 ling->mod\n-0000ca80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000ca90: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n-0000caa0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000cab0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000cac0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000cad0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000cae0: 3d22 4d37 3633 2e36 332c 2d32 3330 2e35 =\"M763.63,-230.5\n-0000caf0: 3743 3737 392e 3237 2c2d 3234 352e 3834 7C779.27,-245.84\n-0000cb00: 2038 3038 2e32 332c 2d32 3733 2e33 3120 808.23,-273.31 \n-0000cb10: 3833 352c 2d32 3934 2e33 3520 3130 3533 835,-294.35 1053\n-0000cb20: 2e32 322c 2d34 3635 2e38 3920 3131 3434 .22,-465.89 1144\n-0000cb30: 2e32 352c 2d34 3630 2e36 3220 3133 3532 .25,-460.62 1352\n-0000cb40: 2c2d 3634 342e 3720 3134 3138 2e33 372c ,-644.7 1418.37,\n-0000cb50: 2d37 3033 2e35 3120 3134 3833 2e34 342c -703.51 1483.44,\n-0000cb60: 2d37 3836 2e39 3320 3135 3131 2e39 362c -786.93 1511.96,\n-0000cb70: 2d38 3235 2e31 3622 2f3e 0a3c 706f 6c79 -825.16\"/>.<poly\n-0000cb80: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0000cb90: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0000cba0: 6363 2220 706f 696e 7473 3d22 3135 3039 cc\" points=\"1509\n-0000cbb0: 2e33 342c 2d38 3237 2e35 2031 3531 382e .34,-827.5 1518.\n-0000cbc0: 312c 2d38 3333 2e34 3520 3135 3134 2e39 1,-833.45 1514.9\n-0000cbd0: 362c 2d38 3233 2e33 3320 3135 3039 2e33 6,-823.33 1509.3\n-0000cbe0: 342c 2d38 3237 2e35 222f 3e0a 3c2f 673e 4,-827.5\"/>.</g>\n-0000cbf0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-0000cc00: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-0000cc10: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000cc20: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0000cc30: 6563 202d 2d3e 0a3c 6720 6964 3d22 6564 ec -->.<g id=\"ed\n-0000cc40: 6765 3631 2220 636c 6173 733d 2265 6467 ge61\" class=\"edg\n-0000cc50: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000cc60: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n-0000cc70: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n-0000cc80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000cc90: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-0000cca0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-0000cfe0: 3c67 2069 643d 2265 6467 6535 3622 2063 .module_src_g\n-0000d010: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-0000d020: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000d030: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0000d040: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-0000d1a0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n-0000d1b0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000d1c0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-0000d1d0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......module_\n-0000d3c0: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-0000d3d0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-0000d3e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000d3f0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-0000d400: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000d410: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000d420: 2220 643d 224d 3735 352e 3738 2c2d 3233 \" d=\"M755.78,-23\n-0000d430: 312e 3539 4337 3630 2e32 392c 2d32 3436 1.59C760.29,-246\n-0000d440: 2e35 3420 3736 382e 3131 2c2d 3237 322e .54 768.11,-272.\n-0000d450: 3320 3737 352c 2d32 3934 2e33 3520 3833 3 775,-294.35 83\n-0000d460: 362e 3136 2c2d 3439 302e 3034 2039 3233 6.16,-490.04 923\n-0000d470: 2c2d 3732 312e 3232 2039 3233 2c2d 3738 ,-721.22 923,-78\n-0000d480: 322e 3838 2039 3233 2c2d 3834 372e 3735 2.88 923,-847.75\n-0000d490: 2039 3233 2c2d 3834 372e 3735 2039 3233 923,-847.75 923\n-0000d4a0: 2c2d 3834 372e 3735 2039 3233 2c2d 3930 ,-847.75 923,-90\n-0000d4b0: 322e 3136 2039 3833 2e33 372c 2d39 3339 2.16 983.37,-939\n-0000d4c0: 2e32 3720 3130 3233 2e30 372c 2d39 3537 .27 1023.07,-957\n-0000d4d0: 2e38 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .8\"/>.....mo\n-0000d770: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000d780: 5f63 6f6f 7264 696e 6174 6569 6f26 2334 _coordinateio\n-0000d790: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000d7a0: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n-0000d7b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n-0000d8e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n-0000d930: 6720 6964 3d22 6564 6765 3638 2220 636c g id=\"edge68\" cl\n-0000d940: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000d960: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-0000d970: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-0000d980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000d990: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-0000d9a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-0000da80: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0000db00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000db10: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n-0000db20: 6d69 6373 2623 3435 3b26 6774 3b6d 6f64 mics->mod\n-0000db30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000db40: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n-0000db50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000db60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000db70: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000db80: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000db90: 3d22 4d31 3234 332e 3431 2c2d 3130 3232 =\"M1243.41,-1022\n-0000dba0: 2e34 4331 3239 352e 3732 2c2d 3939 302e .4C1295.72,-990.\n-0000dbb0: 3139 2031 3433 392e 3638 2c2d 3930 312e 19 1439.68,-901.\n-0000dbc0: 3533 2031 3439 392e 3933 2c2d 3836 342e 53 1499.93,-864.\n-0000dbd0: 3432 222f 3e0a 3c70 6f6c 7967 6f6e 2066 42\"/>.<polygon f\n-0000dbe0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0000dbf0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0000dc00: 6f69 6e74 733d 2231 3530 312e 3834 2c2d oints=\"1501.84,-\n-0000dc10: 3836 372e 3335 2031 3530 382e 3532 2c2d 867.35 1508.52,-\n-0000dc20: 3835 392e 3133 2031 3439 382e 3137 2c2d 859.13 1498.17,-\n-0000dc30: 3836 312e 3339 2031 3530 312e 3834 2c2d 861.39 1501.84,-\n-0000dc40: 3836 372e 3335 222f 3e0a 3c2f 673e 0a3c 867.35\"/>.</g>.<\n-0000dc50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000dc60: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-0000dc70: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-0000dc80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0000dc90: 6163 735f 646f 6d64 6563 202d 2d3e 0a3c acs_domdec -->.<\n-0000dca0: 6720 6964 3d22 6564 6765 3635 2220 636c g id=\"edge65\" cl\n-0000dcb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0000dcc0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0000dcd0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-0000dce0: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-0000dcf0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000dd00: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n-0000dd10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000dd20: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0000dd30: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-0000dd40: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0000dd50: 3132 3138 2e33 352c 2d31 3032 312e 3743 1218.35,-1021.7C\n-0000dd60: 3131 3935 2e38 352c 2d39 3731 2e37 3720 1195.85,-971.77 \n-0000dd70: 3131 3039 2e31 352c 2d37 3834 2e34 3420 1109.15,-784.44 \n-0000dd80: 3130 3134 2c2d 3634 342e 3720 3939 302e 1014,-644.7 990.\n-0000dd90: 3635 2c2d 3631 302e 3431 2039 3538 2e36 65,-610.41 958.6\n-0000dda0: 332c 2d35 3734 2e33 3620 3933 382e 3633 3,-574.36 938.63\n-0000ddb0: 2c2d 3535 322e 3839 222f 3e0a 3c70 6f6c ,-552.89\"/>.<pol\n-0000ddc0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-0000ddd0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-0000dde0: 6663 6322 2070 6f69 6e74 733d 2239 3431 fcc\" points=\"941\n-0000ddf0: 2c2d 3535 302e 3320 3933 312e 362c 2d35 ,-550.3 931.6,-5\n-0000de00: 3435 2e34 3120 3933 352e 392c 2d35 3535 45.41 935.9,-555\n-0000de10: 2e30 3920 3934 312c 2d35 3530 2e33 222f .09 941,-550.3\"/\n-0000de20: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000de30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0000de40: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-0000de50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000de60: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-0000de70: 696f 202d 2d3e 0a3c 6720 6964 3d22 6564 io -->.<g id=\"ed\n-0000de80: 6765 3636 2220 636c 6173 733d 2265 6467 ge66\" class=\"edg\n-0000de90: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0000dea0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-0000deb0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-0000dec0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000ded0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-0000dee0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o...<\n-0000e050: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n-0000e0c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000e0d0: 7263 5f67 726f 6d61 6373 5f65 7373 656e rc_gromacs_essen\n-0000e0e0: 7469 616c 6479 6e61 6d69 6373 2623 3435 tialdynamics-\n-0000e0f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000e100: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n-0000e110: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000e120: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000e130: 2223 6266 6266 6266 2220 643d 224d 3131 \"#bfbfbf\" d=\"M11\n-0000e140: 3733 2e34 372c 2d31 3032 362e 3039 4331 73.47,-1026.09C1\n-0000e150: 3136 342e 3032 2c2d 3130 3234 2e36 3420 164.02,-1024.64 \n-0000e160: 3131 3534 2e32 322c 2d31 3032 332e 3138 1154.22,-1023.18\n-0000e170: 2031 3134 352c 2d31 3032 312e 3932 2031 1145,-1021.92 1\n-0000e180: 3030 382e 3032 2c2d 3130 3033 2e31 3720 008.02,-1003.17 \n-0000e190: 3936 372e 392c 2d31 3032 372e 3338 2038 967.9,-1027.38 8\n-0000e1a0: 3336 2c2d 3938 352e 3932 2036 3034 2e33 36,-985.92 604.3\n-0000e1b0: 2c2d 3931 332e 3120 3439 312e 3331 2c2d ,-913.1 491.31,-\n-0000e1c0: 3839 312e 3834 2033 3839 2c2d 3637 312e 891.84 389,-671.\n-0000e1d0: 3537 2033 3132 2e39 342c 2d35 3037 2e38 57 312.94,-507.8\n-0000e1e0: 3120 3331 322e 3533 2c2d 3434 342e 3732 1 312.53,-444.72\n-0000e1f0: 2033 3437 2c2d 3236 372e 3438 2033 3538 347,-267.48 358\n-0000e200: 2e33 2c2d 3230 392e 3336 2033 3433 2e37 .3,-209.36 343.7\n-0000e210: 322c 2d31 3737 2e33 3720 3339 312c 2d31 2,-177.37 391,-1\n-0000e220: 3431 2e37 3420 3433 332e 3138 2c2d 3130 41.74 433.18,-10\n-0000e230: 392e 3935 2035 3837 2e39 352c 2d39 382e 9.95 587.95,-98.\n-0000e240: 3632 2036 3633 2e32 372c 2d39 342e 3933 62 663.27,-94.93\n-0000e250: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0000e260: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-0000e270: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n-0000e280: 6e74 733d 2236 3633 2e35 332c 2d39 382e nts=\"663.53,-98.\n-0000e290: 3432 2036 3733 2e33 352c 2d39 342e 3435 42 673.35,-94.45\n-0000e2a0: 2036 3633 2e32 2c2d 3931 2e34 3320 3636 663.2,-91.43 66\n-0000e2b0: 332e 3533 2c2d 3938 2e34 3222 2f3e 0a3c 3.53,-98.42\"/>.<\n-0000e2c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-0000e2d0: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n-0000e2e0: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n-0000e2f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000e300: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-0000e310: 6c69 6e65 202d 2d3e 0a3c 6720 6964 3d22 line -->.<g id=\"\n-0000e320: 6564 6765 3634 2220 636c 6173 733d 2265 edge64\" class=\"e\n-0000e330: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0000e340: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000e350: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0000e360: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000e370: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0000e380: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-0000e390: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-0000e560: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n-0000e570: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n-0000e580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000e590: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes...\n-0000e680: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_gro\n-0000e6e0: 6d61 6373 5f61 6e61 6c79 7369 7364 6174 macs_analysisdat\n-0000e6f0: 613c 2f74 6974 6c65 3e0a 3c67 2069 643d a...analysisda\n-0000e820: 7461 3c2f 7465 7874 3e0a 3c2f 613e 0a3c ta..<\n-0000e830: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>...\n-0000e8a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000e8b0: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79 rc_gromacs_analy\n-0000e8c0: 7369 7364 6174 6126 2334 353b 2667 743b sisdata->\n-0000e8d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e8e0: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio</title\n-0000e8f0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000e900: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0000e910: 6662 6622 2064 3d22 4d31 3433 302e 3934 fbf\" d=\"M1430.94\n-0000e920: 2c2d 3339 372e 3531 4331 3438 342e 3637 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735f 6d64 7275 6e20 2d2d 3e0a 3c67 acs_mdrun -->.<g\n-0000ea20: 2069 643d 2265 6467 6537 3722 2063 6c61 id=\"edge77\" cla\n-0000ea30: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000ea40: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000ea50: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-0000ea60: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n-0000ea70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000ea80: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un......module\n-0000ebd0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000ebe0: 756e 7574 696c 6974 7926 2334 353b 2667 unutility-&g\n-0000ebf0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000ec00: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n-0000ec10: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000ec20: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-0000ec30: 6662 6662 6622 2064 3d22 4d31 3533 342e 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3137 3838 2e31 312c 2d33 3531 2e36 3720 1788.11,-351.67 \n-0000ed30: 3137 3537 2e35 2c2d 3337 322e 3620 3136 1757.5,-372.6 16\n-0000ed40: 3937 2e36 2c2d 3335 372e 3033 222f 3e0a 97.6,-357.03\"/>.\n-0000ed50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-0000ed60: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-0000ed70: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-0000ed80: 2231 3639 382e 3331 2c2d 3335 332e 3620 \"1698.31,-353.6 \n-0000ed90: 3136 3837 2e37 332c 2d33 3534 2e32 3120 1687.73,-354.21 \n-0000eda0: 3136 3936 2e33 382c 2d33 3630 2e33 3220 1696.38,-360.32 \n-0000edb0: 3136 3938 2e33 312c 2d33 3533 2e36 222f 1698.31,-353.6\"/\n-0000edc0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000edd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000ede0: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n-0000edf0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000ee00: 726f 6d61 6373 5f67 6d78 6c69 6220 2d2d romacs_gmxlib --\n-0000ee10: 3e0a 3c67 2069 643d 2265 6467 6537 3522 >.<g id=\"edge75\"\n-0000ee20: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0000ee30: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0000ee40: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-0000ee50: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n-0000ee60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ee70: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-0000ee80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....m\n-0000f100: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000f110: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-0000f120: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000f130: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-0000f140: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re......mo\n-0000f3d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000f3e0: 5f6d 6472 756e 7574 696c 6974 7926 2334 _mdrunutility\n-0000f3f0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000f400: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-0000f410: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line..\n-0000f540: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n-0000f5b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 .\n-0000f600: 0a3c 6720 6964 3d22 6564 6765 3733 2220 ..module_src_\n-0000f630: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-0000f640: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-0000f650: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f660: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n-0000f670: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n-0000f7c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f7d0: 7369 6d64 3c2f 7469 746c 653e 0a3c 6720 simd...simd......module\n-0000f950: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n-0000f960: 696e 673c 2f74 6974 6c65 3e0a 3c65 6c6c ing..tim\n-0000fa20: 696e 673c 2f74 6578 743e 0a3c 2f67 3e0a ing..\n-0000fa30: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-0000faa0: 5f73 7263 5f67 726f 6d61 6373 5f74 696d _src_gromacs_tim\n-0000fab0: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-0000fac0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000fad0: 6474 7970 6573 3c2f 7469 746c 653e 0a3c dtypes.<\n-0000fae0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0000faf0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0000fb00: 2220 643d 224d 3130 3936 2e33 322c 2d31 \" d=\"M1096.32,-1\n-0000fb10: 3032 322e 3333 4331 3038 392e 3638 2c2d 022.33C1089.68,-\n-0000fb20: 3130 3134 2e30 3820 3130 3830 2e37 2c2d 1014.08 1080.7,-\n-0000fb30: 3130 3032 2e39 3320 3130 3733 2e30 312c 1002.93 1073.01,\n-0000fb40: 2d39 3933 2e33 3722 2f3e 0a3c 706f 6c79 -993.37\"/>.....modul\n-0000fc30: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0000fc40: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 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21\n+000078a0: 3133 2e37 362c 2d34 3039 2e39 3720 3230 13.76,-409.97 20\n+000078b0: 3937 2e35 362c 2d33 3933 2e32 3220 3230 97.56,-393.22 20\n+000078c0: 3637 2e37 392c 2d33 3632 2e34 3420 3230 67.79,-362.44 20\n+000078d0: 3631 2e36 352c 2d33 3531 2e37 3420 3230 61.65,-351.74 20\n+000078e0: 3234 2e35 362c 2d33 3330 2e33 3520 3139 24.56,-330.35 19\n+000078f0: 3933 2e30 372c 2d33 3132 2e31 3920 3139 93.07,-312.19 19\n+00007900: 3533 2e36 372c 2d32 3939 2e32 3620 3139 53.67,-299.26 19\n+00007910: 3234 2e38 362c 2d32 3931 2e33 3522 2f3e 24.86,-291.35\"/>\n+00007920: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+000079e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000079f0: 6373 5f6d 6472 756e 3c2f 7469 746c 653e cs_mdrun\n+00007a00: 0a3c 6720 6964 3d22 615f 6e6f 6465 3233 ..\n+00007a60: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .mdrun...\n+00007b30: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+00007ba0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00007bb0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00007bc0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00007bd0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00007be0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n....\n+00007e20: 0a3c 6720 6964 3d22 6564 6765 3335 2220 ..module_src_\n+00007e50: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00007e60: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00007e70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007e80: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces...<\n+00008050: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00008090: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+000080a0: 7263 5f67 726f 6d61 6373 5f66 6674 3c2f rc_gromacs_fft</\n+000080b0: 7469 746c 653e 0a3c 656c 6c69 7073 6520 title>.<ellipse \n+000080c0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000080d0: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+000080e0: 3d22 3139 3930 2e35 3622 2063 793d 222d =\"1990.56\" cy=\"-\n+000080f0: 3430 362e 3636 2220 7278 3d22 3237 2220 406.66\" rx=\"27\" \n+00008100: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+00008110: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+00008120: 6d69 6464 6c65 2220 783d 2231 3939 302e middle\" x=\"1990.\n+00008130: 3536 2220 793d 222d 3430 342e 3136 2220 56\" y=\"-404.16\" \n+00008140: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n+00008150: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n+00008160: 3d22 3130 2e30 3022 3e66 6674 3c2f 7465 =\"10.00\">fft</te\n+00008170: 7874 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f xt>.</g>.<!-- mo\n+00008180: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00008190: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n+000081a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000081b0: 635f 6772 6f6d 6163 735f 6666 7420 2d2d c_gromacs_fft --\n+000081c0: 3e0a 3c67 2069 643d 2265 6467 6532 3522 >.<g id=\"edge25\"\n+000081d0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+000081e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000081f0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00008200: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00008210: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008220: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft...\n+000083d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00008450: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00008460: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00008470: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00008480: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio....<\n+000085f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00008600: 726f 6d61 6373 5f6f 7074 696f 6e73 202d romacs_options -\n+00008610: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3333 ->..\n+00008630: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00008640: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n+00008650: 733c 2f74 6974 6c65 3e0a 3c67 2069 643d s...\n+00008770: 6f70 7469 6f6e 733c 2f74 6578 743e 0a3c options.<\n+00008780: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....m\n+00008800: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00008810: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00008820: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00008830: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00008840: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns...<\n+00008a00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+00008a50: 3c67 2069 643d 2265 6467 6533 3222 2063 .module_src_g\n+00008a80: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00008a90: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00008aa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008ab0: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+00008ac0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00008ad0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00008ae0: 2220 643d 224d 3135 3539 2e35 392c 2d31 \" d=\"M1559.59,-1\n+00008af0: 3033 332e 3134 4331 3732 302e 3933 2c2d 033.14C1720.93,-\n+00008b00: 3130 3239 2e33 3920 3231 3732 2e35 322c 1029.39 2172.52,\n+00008b10: 2d31 3031 362e 3432 2032 3331 372e 3536 -1016.42 2317.56\n+00008b20: 2c2d 3938 352e 3932 2032 3530 352e 372c ,-985.92 2505.7,\n+00008b30: 2d39 3436 2e33 3620 3237 3030 2e35 362c -946.36 2700.56,\n+00008b40: 2d39 3737 2e31 3220 3237 3030 2e35 362c -977.12 2700.56,\n+00008b50: 2d37 3834 2e38 3820 3237 3030 2e35 362c -784.88 2700.56,\n+00008b60: 2d37 3834 2e38 3820 3237 3030 2e35 362c -784.88 2700.56,\n+00008b70: 2d37 3834 2e38 3820 3237 3030 2e35 362c -784.88 2700.56,\n+00008b80: 2d32 3739 2e39 3220 3237 3030 2e35 362c -279.92 2700.56,\n+00008b90: 2d31 3836 2e30 3120 3237 3132 2e39 2c2d -186.01 2712.9,-\n+00008ba0: 3133 322e 3133 2032 3633 352e 3536 2c2d 132.13 2635.56,-\n+00008bb0: 3738 2e38 3720 3235 3830 2e30 362c 2d34 78.87 2580.06,-4\n+00008bc0: 302e 3635 2032 3130 372e 3034 2c2d 3332 0.65 2107.04,-32\n+00008bd0: 2e34 3420 3139 3631 2e38 2c2d 3330 2e38 .44 1961.8,-30.8\n+00008be0: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.....module\n+00008f30: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00008f40: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00008f50: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00008f60: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00008f70: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......modu\n+000091a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000091b0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+000091c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000091d0: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald</t\n+000091e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000091f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00009200: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00009210: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00009220: 643d 224d 3135 3539 2e39 372c 2d31 3033 d=\"M1559.97,-103\n+00009230: 332e 3636 4331 3730 302e 3031 2c2d 3130 3.66C1700.01,-10\n+00009240: 3331 2e34 3120 3230 3435 2e39 382c 2d31 31.41 2045.98,-1\n+00009250: 3032 322e 3231 2032 3038 322e 3536 2c2d 022.21 2082.56,-\n+00009260: 3938 352e 3932 2032 3232 312e 3534 2c2d 985.92 2221.54,-\n+00009270: 3834 382e 3036 2032 3130 382e 3936 2c2d 848.06 2108.96,-\n+00009280: 3733 362e 3439 2032 3036 342e 3536 2c2d 736.49 2064.56,-\n+00009290: 3534 352e 3833 2032 3036 302e 3434 2c2d 545.83 2060.44,-\n+000092a0: 3532 382e 3133 2032 3035 362e 3138 2c2d 528.13 2056.18,-\n+000092b0: 3530 372e 3938 2032 3035 332e 3039 2c2d 507.98 2053.09,-\n+000092c0: 3439 322e 3939 222f 3e0a 3c70 6f6c 7967 492.99\"/>.<polyg\n+000092d0: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n+000092e0: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n+000092f0: 6322 2070 6f69 6e74 733d 2232 3035 362e c\" points=\"2056.\n+00009300: 352c 2d34 3932 2e31 3820 3230 3531 2e30 5,-492.18 2051.0\n+00009310: 372c 2d34 3833 2e30 3820 3230 3439 2e36 7,-483.08 2049.6\n+00009320: 342c 2d34 3933 2e35 3820 3230 3536 2e35 4,-493.58 2056.5\n+00009330: 2c2d 3439 322e 3138 222f 3e0a 3c2f 673e ,-492.18\"/>.</g>\n+00009340: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00009350: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00009360: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00009370: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00009380: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+00009390: 5f61 7768 202d 2d3e 0a3c 6720 6964 3d22 _awh -->.<g id=\"\n+000093a0: 6564 6765 3232 2220 636c 6173 733d 2265 edge22\" class=\"e\n+000093b0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000093c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000093d0: 676d 7870 7265 7072 6f63 6573 7326 2334 gmxpreprocess\n+000093e0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000093f0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00009400: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh</tit\n+00009410: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00009420: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00009430: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00009440: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00009450: 224d 3134 3433 2e35 382c 2d31 3033 322e \"M1443.58,-1032.\n+00009460: 3739 4331 3334 362e 3032 2c2d 3130 3239 79C1346.02,-1029\n+00009470: 2e32 3920 3131 3533 2e39 372c 2d31 3031 .29 1153.97,-101\n+00009480: 382e 3337 2031 3039 352e 3536 2c2d 3938 8.37 1095.56,-98\n+00009490: 352e 3932 2031 3031 392e 3231 2c2d 3934 5.92 1019.21,-94\n+000094a0: 332e 3520 3936 352e 3633 2c2d 3834 382e 3.5 965.63,-848.\n+000094b0: 3736 2039 3434 2e35 332c 2d38 3036 2e32 76 944.53,-806.2\n+000094c0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+000094d0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+000094e0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+000094f0: 696e 7473 3d22 3934 372e 362c 2d38 3034 ints=\"947.6,-804\n+00009500: 2e35 3520 3934 302e 3039 2c2d 3739 372e .55 940.09,-797.\n+00009510: 3038 2039 3431 2e33 2c2d 3830 372e 3631 08 941.3,-807.61\n+00009520: 2039 3437 2e36 2c2d 3830 342e 3535 222f 947.6,-804.55\"/\n+00009530: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00009540: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00009550: 6474 7970 6573 2623 3435 3b26 6774 3b6d dtypes->m\n+00009560: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00009570: 735f 6d64 6c69 6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+00009580: 643d 2265 6467 6534 3022 2063 6c61 7373 d=\"edge40\" class\n+00009590: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000095a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000095b0: 6373 5f6d 6474 7970 6573 2623 3435 3b26 cs_mdtypes-&\n+000095c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000095d0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n+000095e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000095f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00009600: 6662 6662 6622 2064 3d22 4d31 3736 372e fbfbf\" d=\"M1767.\n+00009610: 3439 2c2d 3930 312e 3033 4331 3732 392e 49,-901.03C1729.\n+00009620: 3235 2c2d 3839 302e 3338 2031 3636 332e 25,-890.38 1663.\n+00009630: 3835 2c2d 3837 302e 3934 2031 3632 342e 85,-870.94 1624.\n+00009640: 3939 2c2d 3835 382e 3731 222f 3e0a 3c70 99,-858.71\"/>.<p\n+00009650: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00009660: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" 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6475 6c65 5f73 7263 5f67 >module_src_g\n+00009760: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00009770: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00009780: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00009790: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+000097a0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+000097b0: 643d 224d 3138 3333 2e34 322c 2d39 3034 d=\"M1833.42,-904\n+000097c0: 2e39 3843 3138 3938 2e39 372c 2d38 3938 .98C1898.97,-898\n+000097d0: 2e33 3620 3230 3334 2e36 352c 2d38 3832 .36 2034.65,-882\n+000097e0: 2e38 3720 3230 3736 2e35 362c 2d38 3630 .87 2076.56,-860\n+000097f0: 2e31 3820 3231 3834 2e34 382c 2d38 3031 .18 2184.48,-801\n+00009800: 2e37 3620 3231 3734 2e34 2c2d 3733 302e .76 2174.4,-730.\n+00009810: 3335 2032 3139 302e 3536 2c2d 3630 382e 35 2190.56,-608.\n+00009820: 3720 3231 3936 2e30 362c 2d35 3637 2e32 7 2196.06,-567.2\n+00009830: 3820 3231 3834 2e34 312c 2d35 3534 2e35 8 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ule_src_gromacs_\n+00009c30: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00009c40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00009c50: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00009c60: 6663 6322 2064 3d22 4d31 3833 322e 3237 fcc\" d=\"M1832.27\n+00009c70: 2c2d 3931 352e 3338 4331 3930 332e 3936 ,-915.38C1903.96\n+00009c80: 2c2d 3932 352e 3931 2032 3036 372e 3834 ,-925.91 2067.84\n+00009c90: 2c2d 3935 312e 3138 2032 3134 372e 3132 ,-951.18 2147.12\n+00009ca0: 2c2d 3936 332e 3922 2f3e 0a3c 706f 6c79 ,-963.9\"/>.<poly\n+00009cb0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00009cc0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00009cd0: 6363 2220 706f 696e 7473 3d22 3231 3436 cc\" points=\"2146\n+00009ce0: 2e38 352c 2d39 3637 2e34 2032 3135 372e .85,-967.4 2157.\n+00009cf0: 3238 2c2d 3936 352e 3534 2032 3134 372e 28,-965.54 2147.\n+00009d00: 3936 2c2d 3936 302e 3439 2032 3134 362e 96,-960.49 2146.\n+00009d10: 3835 2c2d 3936 372e 3422 2f3e 0a3c 2f67 85,-967.4\"/>.</g\n+00009d20: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00009d30: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00009d40: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00009d50: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+00009d60: 6c64 202d 2d3e 0a3c 6720 6964 3d22 6564 ld -->.<g id=\"ed\n+00009d70: 6765 3432 2220 636c 6173 733d 2265 6467 ge42\" class=\"edg\n+00009d80: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00009d90: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00009da0: 7479 7065 7326 2334 353b 2667 743b 6d6f types->mo\n+00009db0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00009dc0: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n+00009dd0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00009de0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00009df0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00009e00: 6179 3d22 352c 3222 2064 3d22 4d31 3833 ay=\"5,2\" d=\"M183\n+00009e10: 342e 3039 2c2d 3930 352e 3635 4331 3839 4.09,-905.65C189\n+00009e20: 362e 3938 2c2d 3930 302e 3234 2032 3032 6.98,-900.24 202\n+00009e30: 312e 3735 2c2d 3838 362e 3736 2032 3035 1.75,-886.76 205\n+00009e40: 362e 3536 2c2d 3836 302e 3138 2032 3133 6.56,-860.18 213\n+00009e50: 372e 3735 2c2d 3739 382e 3138 2032 3137 7.75,-798.18 217\n+00009e60: 312e 3334 2c2d 3734 302e 3736 2032 3133 1.34,-740.76 213\n+00009e70: 362e 3536 2c2d 3634 342e 3720 3231 3239 6.56,-644.7 2129\n+00009e80: 2e34 372c 2d36 3235 2e31 3220 3231 3137 .47,-625.12 2117\n+00009e90: 2e38 352c 2d36 3236 2e32 2032 3130 362e .85,-626.2 2106.\n+00009ea0: 3536 2c2d 3630 382e 3720 3230 3831 2e36 56,-608.7 2081.6\n+00009eb0: 392c 2d35 3730 2e31 3720 3230 3539 2e39 9,-570.17 2059.9\n+00009ec0: 392c 2d35 3231 2e30 3320 3230 3531 2e31 9,-521.03 2051.1\n+00009ed0: 362c 2d34 3932 2e39 3422 2f3e 0a3c 706f 6,-492.94\"/>.\n+00009f50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00009fd0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00009fe0: 6474 7970 6573 2623 3435 3b26 6774 3b6d dtypes->m\n+00009ff0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a000: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0000a010: 5f61 7768 3c2f 7469 746c 653e 0a3c 7061 _awh....\n+0000a140: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+0000a1a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000a1b0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+0000a1c0: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+0000a1d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+0000a1e0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......\n+0000a330: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000a340: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+0000a350: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000a360: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0000a370: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes....\n+0000a4d0: 0a3c 6720 6964 3d22 6564 6765 3438 2220 ..module_src_\n+0000a500: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+0000a510: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000a520: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+0000a530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+0000a6a0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0000a710: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a720: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0000a730: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000a740: 6163 735f 6d64 7370 616e 3c2f 7469 746c acs_mdspan</titl\n+0000a750: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000a760: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0000a770: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0000a780: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000a790: 4d39 3035 2e34 312c 2d39 3730 2e39 3343 M905.41,-970.93C\n+0000a7a0: 3738 332e 3937 2c2d 3936 382e 3731 2033 783.97,-968.71 3\n+0000a7b0: 3837 2e30 362c 2d39 3538 2e37 3720 3334 87.06,-958.77 34\n+0000a7c0: 332e 3536 2c2d 3932 332e 3035 2033 3230 3.56,-923.05 320\n+0000a7d0: 2c2d 3930 332e 3731 2032 3638 2e35 362c ,-903.71 268.56,\n+0000a7e0: 2d36 3839 2e36 3220 3236 382e 3536 2c2d -689.62 268.56,-\n+0000a7f0: 3635 392e 3134 2032 3638 2e35 362c 2d36 659.14 268.56,-6\n+0000a800: 3539 2e31 3420 3236 382e 3536 2c2d 3635 59.14 268.56,-65\n+0000a810: 392e 3134 2032 3638 2e35 362c 2d35 3934 9.14 268.56,-594\n+0000a820: 2e32 3720 3236 382e 3536 2c2d 3339 322e .27 268.56,-392.\n+0000a830: 3033 2033 3333 2e32 352c 2d33 3133 2e36 03 333.25,-313.6\n+0000a840: 3720 3530 332e 3536 2c2d 3230 342e 3631 7 503.56,-204.61\n+0000a850: 2035 3630 2e32 312c 2d31 3638 2e33 3420 560.21,-168.34 \n+0000a860: 3630 392e 3034 2c2d 3232 312e 3533 2036 609.04,-221.53 6\n+0000a870: 3530 2e35 362c 2d31 3638 2e36 3120 3636 50.56,-168.61 66\n+0000a880: 322e 3832 2c2d 3135 322e 3939 2036 3534 2.82,-152.99 654\n+0000a890: 2e32 312c 2d31 3330 2e36 3320 3634 342e .21,-130.63 644.\n+0000a8a0: 3538 2c2d 3131 342e 3334 222f 3e0a 3c70 58,-114.34\"/>.<p\n+0000a8b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+0000a8c0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+0000a8d0: 3832 6663 6322 2070 6f69 6e74 733d 2236 82fcc\" points=\"6\n+0000a8e0: 3437 2e32 382c 2d31 3132 2e30 3720 3633 47.28,-112.07 63\n+0000a8f0: 382e 3934 2c2d 3130 352e 3534 2036 3431 8.94,-105.54 641\n+0000a900: 2e33 392c 2d31 3135 2e38 3520 3634 372e .39,-115.85 647.\n+0000a910: 3238 2c2d 3131 322e 3037 222f 3e0a 3c2f 28,-112.07\"/>.</\n+0000a920: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0000a930: 7263 5f67 726f 6d61 6373 5f63 6f72 7265 rc_gromacs_corre\n+0000a940: 6c61 7469 6f6e 6675 6e63 7469 6f6e 7320 lationfunctions 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2366 6663 6363 6322 2073 7472 ll=\"#ffcccc\" str\n+0000aa40: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0000aa50: 3132 3130 2e35 3622 2063 793d 222d 3732 1210.56\" cy=\"-72\n+0000aa60: 312e 3031 2220 7278 3d22 3731 2e33 3422 1.01\" rx=\"71.34\"\n+0000aa70: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+0000aa80: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+0000aa90: 226d 6964 646c 6522 2078 3d22 3132 3130 \"middle\" x=\"1210\n+0000aaa0: 2e35 3622 2079 3d22 2d37 3138 2e35 3122 .56\" y=\"-718.51\"\n+0000aab0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+0000aac0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+0000aad0: 653d 2231 302e 3030 223e 636f 7272 656c e=\"10.00\">correl\n+0000aae0: 6174 696f 6e66 756e 6374 696f 6e73 3c2f ationfunctions</\n+0000aaf0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n+0000ab00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000ab10: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000ab20: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0000ab30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0000ab40: 6f72 7265 6c61 7469 6f6e 6675 6e63 7469 orrelationfuncti\n+0000ab50: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->.<g id=\"e\n+0000ab60: 6467 6534 3722 2063 6c61 7373 3d22 6564 dge47\" class=\"ed\n+0000ab70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000ab80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000ab90: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+0000aba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000abb0: 5f63 6f72 7265 6c61 7469 6f6e 6675 6e63 _correlationfunc\n+0000abc0: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions...<\n+0000acf0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n+0000ad40: 3c67 2069 643d 2265 6467 6534 3622 2063 .module_src_g\n+0000ad70: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+0000ad80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ad90: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+0000ada0: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+0000adb0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000adc0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000add0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000ade0: 6179 3d22 352c 3222 2064 3d22 4d39 3734 ay=\"5,2\" d=\"M974\n+0000adf0: 2e35 372c 2d39 3638 2e34 3743 3130 3936 .57,-968.47C1096\n+0000ae00: 2e35 312c 2d39 3537 2e32 3720 3135 3130 .51,-957.27 1510\n+0000ae10: 2e39 322c 2d39 3135 2e38 3520 3136 3330 .92,-915.85 1630\n+0000ae20: 2e35 362c 2d38 3630 2e31 3820 3136 3937 .56,-860.18 1697\n+0000ae30: 2e33 352c 2d38 3239 2e31 2031 3732 302e .35,-829.1 1720.\n+0000ae40: 3734 2c2d 3830 352e 3932 2031 3733 382e 74,-805.92 1738.\n+0000ae50: 3536 2c2d 3733 342e 3434 2031 3735 362e 56,-734.44 1756.\n+0000ae60: 3033 2c2d 3636 342e 3334 2031 3734 352e 03,-664.34 1745.\n+0000ae70: 3734 2c2d 3434 3020 3137 3431 2e38 352c 74,-440 1741.85,\n+0000ae80: 2d33 3637 2e35 3722 2f3e 0a3c 706f 6c79 -367.57\"/>..<\n+0000af00: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+0000af70: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000af80: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0000af90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0000afa0: 6674 3c2f 7469 746c 653e 0a3c 7061 7468 ft......\n+0000b1f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b200: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n+0000b210: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b220: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+0000b230: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000b240: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0000b250: 6662 6662 6622 2064 3d22 4d39 3035 2e33 fbfbf\" d=\"M905.3\n+0000b260: 372c 2d39 3730 2e35 3543 3738 392e 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921.46,-593.4\n+0000b350: 3720 3932 312e 3634 2c2d 3630 302e 3437 7 921.64,-600.47\n+0000b360: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+0000b370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000b380: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+0000b390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b3a0: 6373 5f67 6d78 6c69 6220 2d2d 3e0a 3c67 cs_gmxlib -->.<g\n+0000b3b0: 2069 643d 2265 6467 6535 3422 2063 6c61 id=\"edge54\" cla\n+0000b3c0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000b3d0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000b3e0: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0000b3f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000b400: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+0000b410: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000b420: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000b430: 2362 6662 6662 6622 2064 3d22 4d39 3034 #bfbfbf\" d=\"M904\n+0000b440: 2e38 372c 2d39 3731 2e39 3543 3830 322e .87,-971.95C802.\n+0000b450: 3635 2c2d 3937 322e 3639 2035 3131 2c2d 65,-972.69 511,-\n+0000b460: 3937 302e 3439 2034 3330 2e35 362c 2d39 970.49 430.56,-9\n+0000b470: 3233 2e30 3520 3336 302e 3534 2c2d 3838 23.05 360.54,-88\n+0000b480: 312e 3736 2033 3038 2e35 362c 2d37 3034 1.76 308.56,-704\n+0000b490: 2e39 3220 3330 382e 3536 2c2d 3635 392e .92 308.56,-659.\n+0000b4a0: 3134 2033 3038 2e35 362c 2d36 3539 2e31 14 308.56,-659.1\n+0000b4b0: 3420 3330 382e 3536 2c2d 3635 392e 3134 4 308.56,-659.14\n+0000b4c0: 2033 3038 2e35 362c 2d35 3934 2e32 3720 308.56,-594.27 \n+0000b4d0: 3330 382e 3536 2c2d 3536 302e 3520 3330 308.56,-560.5 30\n+0000b4e0: 332e 3931 2c2d 3534 392e 3338 2033 3138 3.91,-549.38 318\n+0000b4f0: 2e35 362c 2d35 3138 2e39 3620 3332 392e .56,-518.96 329.\n+0000b500: 3037 2c2d 3439 372e 3134 2036 3033 2e33 07,-497.14 603.3\n+0000b510: 382c 2d32 3231 2e36 3720 3632 302e 3536 8,-221.67 620.56\n+0000b520: 2c2d 3230 342e 3631 2036 3337 2e30 372c ,-204.61 637.07,\n+0000b530: 2d31 3838 2e32 3220 3634 322e 3231 2c2d -188.22 642.21,-\n+0000b540: 3138 352e 3136 2036 3538 2e35 362c 2d31 185.16 658.56,-1\n+0000b550: 3638 2e36 3120 3639 362e 3735 2c2d 3132 68.61 696.75,-12\n+0000b560: 392e 3936 2036 3932 2e32 342c 2d31 3031 9.96 692.24,-101\n+0000b570: 2e36 3520 3734 312e 3536 2c2d 3738 2e38 .65 741.56,-78.8\n+0000b580: 3720 3834 362e 3235 2c2d 3330 2e35 3120 7 846.25,-30.51 \n+0000b590: 3136 3739 2e34 372c 2d32 392e 3736 2031 1679.47,-29.76 1\n+0000b5a0: 3837 372e 3436 2c2d 3330 2e32 3722 2f3e 877.46,-30.27\"/>\n+0000b5b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0000b5c0: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+0000b5d0: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+0000b5e0: 3d22 3138 3737 2e37 322c 2d33 332e 3737 =\"1877.72,-33.77\n+0000b5f0: 2031 3838 372e 3733 2c2d 3330 2e33 2031 1887.73,-30.3 1\n+0000b600: 3837 372e 3734 2c2d 3236 2e37 3720 3138 877.74,-26.77 18\n+0000b610: 3737 2e37 322c 2d33 332e 3737 222f 3e0a 77.72,-33.77\"/>.\n+0000b620: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000b630: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n+0000b640: 7469 7374 6963 7320 2d2d 3e0a 3c67 2069 tistics -->.<g i\n+0000b650: 643d 226e 6f64 6533 3722 2063 6c61 7373 d=\"node37\" class\n+0000b660: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n+0000b670: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b680: 6373 5f73 7461 7469 7374 6963 733c 2f74 cs_statistics</t\n+0000b690: 6974 6c65 3e0a 3c65 6c6c 6970 7365 2066 itle>.<ellipse f\n+0000b6a0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0000b6b0: 726f 6b65 3d22 626c 6163 6b22 2063 783d roke=\"black\" cx=\n+0000b6c0: 2231 3030 312e 3536 2220 6379 3d22 2d36 \"1001.56\" cy=\"-6\n+0000b6d0: 3538 2e31 3422 2072 783d 2233 392e 3722 58.14\" rx=\"39.7\"\n+0000b6e0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+0000b6f0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+0000b700: 226d 6964 646c 6522 2078 3d22 3130 3031 \"middle\" x=\"1001\n+0000b710: 2e35 3622 2079 3d22 2d36 3535 2e36 3422 .56\" y=\"-655.64\"\n+0000b720: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+0000b730: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+0000b740: 653d 2231 302e 3030 223e 7374 6174 6973 e=\"10.00\">statis\n+0000b750: 7469 6373 3c2f 7465 7874 3e0a 3c2f 673e tics</text>.</g>\n+0000b760: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0000b770: 5f67 726f 6d61 6373 5f67 6d78 616e 6126 _gromacs_gmxana&\n+0000b780: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000b790: 7263 5f67 726f 6d61 6373 5f73 7461 7469 rc_gromacs_stati\n+0000b7a0: 7374 6963 7320 2d2d 3e0a 3c67 2069 643d stics -->.<g id=\n+0000b7b0: 2265 6467 6534 3922 2063 6c61 7373 3d22 \"edge49\" class=\"\n+0000b7c0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0000b7d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000b7e0: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+0000b7f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b800: 6373 5f73 7461 7469 7374 6963 733c 2f74 cs_statistics</t\n+0000b810: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000b820: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0000b830: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0000b840: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0000b850: 643d 224d 3933 342e 3638 2c2d 3935 382e d=\"M934.68,-958.\n+0000b860: 3837 4339 3230 2e37 2c2d 3932 372e 3331 87C920.7,-927.31\n+0000b870: 2038 3837 2e34 2c2d 3834 322e 3332 2038 887.4,-842.32 8\n+0000b880: 3938 2e35 362c 2d37 3730 2e34 3420 3930 98.56,-770.44 90\n+0000b890: 332e 3036 2c2d 3734 312e 3437 2039 3030 3.06,-741.47 900\n+0000b8a0: 2e32 332c 2d37 3330 2e34 3620 3931 382e .23,-730.46 918.\n+0000b8b0: 3536 2c2d 3730 372e 3537 2039 3330 2e39 56,-707.57 930.9\n+0000b8c0: 342c 2d36 3932 2e31 3120 3934 392e 3638 4,-692.11 949.68\n+0000b8d0: 2c2d 3638 302e 3538 2039 3636 2e32 332c ,-680.58 966.23,\n+0000b8e0: 2d36 3732 2e36 3522 2f3e 0a3c 706f 6c79 -672.65\"/>.<poly\n+0000b8f0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0000b900: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0000b910: 6363 2220 706f 696e 7473 3d22 3936 372e cc\" points=\"967.\n+0000b920: 3938 2c2d 3637 352e 3720 3937 352e 3635 98,-675.7 975.65\n+0000b930: 2c2d 3636 382e 3339 2039 3635 2e31 2c2d ,-668.39 965.1,-\n+0000b940: 3636 392e 3332 2039 3637 2e39 382c 2d36 669.32 967.98,-6\n+0000b950: 3735 2e37 222f 3e0a 3c2f 673e 0a3c 212d 75.7\"/>.</g>.<!-\n+0000b960: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0000b970: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0000b980: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000b990: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+0000b9a0: 7920 2d2d 3e0a 3c67 2069 643d 2265 6467 y -->.<g id=\"edg\n+0000b9b0: 6535 3222 2063 6c61 7373 3d22 6564 6765 e52\" class=\"edge\n+0000b9c0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0000b9d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+0000b9e0: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+0000b9f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0000ba00: 7261 6a65 6374 6f72 793c 2f74 6974 6c65 rajectory</title\n+0000ba10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000ba20: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+0000ba30: 6662 6622 2064 3d22 4d39 3035 2e30 342c fbf\" d=\"M905.04,\n+0000ba40: 2d39 3731 2e36 3443 3830 382e 3132 2c2d -971.64C808.12,-\n+0000ba50: 3937 312e 3439 2035 3431 2e34 342c 2d39 971.49 541.44,-9\n+0000ba60: 3636 2e39 3820 3436 372e 3536 2c2d 3932 66.98 467.56,-92\n+0000ba70: 332e 3035 2033 3339 2e37 322c 2d38 3437 3.05 339.72,-847\n+0000ba80: 2e30 3320 3335 362e 3131 2c2d 3632 372e .03 356.11,-627.\n+0000ba90: 3537 2033 3635 2e32 2c2d 3535 362e 3135 57 365.2,-556.15\n+0000baa0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+0000bab0: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n+0000bac0: 6b65 3d22 2362 6662 6662 6622 2070 6f69 ke=\"#bfbfbf\" poi\n+0000bad0: 6e74 733d 2233 3638 2e37 2c2d 3535 362e nts=\"368.7,-556.\n+0000bae0: 3338 2033 3636 2e35 372c 2d35 3436 2033 38 366.57,-546 3\n+0000baf0: 3631 2e37 362c 2d35 3535 2e34 3520 3336 61.76,-555.45 36\n+0000bb00: 382e 372c 2d35 3536 2e33 3822 2f3e 0a3c 8.7,-556.38\"/>.<\n+0000bb10: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000bb20: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n+0000bb30: 6e61 2623 3435 3b26 6774 3b6d 6f64 756c na->modul\n+0000bb40: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0000bb50: 6d6d 616e 646c 696e 6520 2d2d 3e0a 3c67 mmandline -->.<g\n+0000bb60: 2069 643d 2265 6467 6534 3422 2063 6c61 id=\"edge44\" cla\n+0000bb70: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0000bb80: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0000bb90: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+0000bba0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000bbb0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0000bbc0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne......m\n+0000bd90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000bda0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+0000bdb0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000bdc0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000bdd0: 6573 5f61 7768 3c2f 7469 746c 653e 0a3c es_awh.<\n+0000bde0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000bdf0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000be00: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000be10: 6179 3d22 352c 3222 2064 3d22 4d39 3338 ay=\"5,2\" d=\"M938\n+0000be20: 2e39 312c 2d39 3538 2e37 3643 3933 372e .91,-958.76C937.\n+0000be30: 3733 2c2d 3934 392e 3031 2039 3336 2e32 73,-949.01 936.2\n+0000be40: 332c 2d39 3335 2e32 3120 3933 352e 3536 3,-935.21 935.56\n+0000be50: 2c2d 3932 332e 3035 2039 3333 2e33 322c ,-923.05 933.32,\n+0000be60: 2d38 3832 2e34 3220 3933 332e 3631 2c2d -882.42 933.61,-\n+0000be70: 3833 342e 3937 2039 3334 2e30 362c 2d38 834.97 934.06,-8\n+0000be80: 3037 2e35 3722 2f3e 0a3c 706f 6c79 676f 07.57\"/>.....module\n+0000bf50: 5f73 7263 5f67 726f 6d61 6373 5f6c 696e _src_gromacs_lin\n+0000bf60: 6561 7261 6c67 6562 7261 3c2f 7469 746c earalgebra</titl\n+0000bf70: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+0000bf80: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0000bf90: 653d 2262 6c61 636b 2220 6378 3d22 3234 e=\"black\" cx=\"24\n+0000bfa0: 3539 2e35 3622 2063 793d 222d 3130 3938 59.56\" cy=\"-1098\n+0000bfb0: 2e32 3322 2072 783d 2235 302e 3431 2220 .23\" rx=\"50.41\" \n+0000bfc0: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n+0000bfd0: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n+0000bfe0: 6d69 6464 6c65 2220 783d 2232 3435 392e middle\" x=\"2459.\n+0000bff0: 3536 2220 793d 222d 3130 3935 2e37 3322 56\" y=\"-1095.73\"\n+0000c000: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+0000c010: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+0000c020: 653d 2231 302e 3030 223e 6c69 6e65 6172 e=\"10.00\">linear\n+0000c030: 616c 6765 6272 613c 2f74 6578 743e 0a3c algebra</text>.<\n+0000c040: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+0000c050: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0000c060: 7261 696e 7420 2d2d 3e0a 3c67 2069 643d raint -->.<g id=\n+0000c070: 226e 6f64 6531 3222 2063 6c61 7373 3d22 \"node12\" class=\"\n+0000c080: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n+0000c090: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c0a0: 5f72 6573 7472 6169 6e74 3c2f 7469 746c _restraint</titl\n+0000c0b0: 653e 0a3c 6720 6964 3d22 615f 6e6f 6465 e>.<g id=\"a_node\n+0000c0c0: 3132 223e 3c61 2078 6c69 6e6b 3a68 7265 12\"><a xlink:hre\n+0000c0d0: 663d 2267 726f 7570 5f5f 6d6f 6475 6c65 f=\"group__module\n+0000c0e0: 5f5f 7265 7374 7261 696e 742e 7868 746d __restraint.xhtm\n+0000c0f0: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n+0000c100: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7265 xlink:title=\"re\n+0000c110: 7374 7261 696e 7422 3e0a 3c65 6c6c 6970 straint\">.<ellip\n+0000c120: 7365 2066 696c 6c3d 226e 6f6e 6522 2073 se fill=\"none\" s\n+0000c130: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+0000c140: 3d22 3235 3336 2e35 3622 2063 793d 222d =\"2536.56\" cy=\"-\n+0000c150: 3135 352e 3138 2220 7278 3d22 3336 2e35 155.18\" rx=\"36.5\n+0000c160: 3422 2072 793d 2231 332e 3337 222f 3e0a 4\" ry=\"13.37\"/>.\n+0000c170: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n+0000c180: 723d 226d 6964 646c 6522 2078 3d22 3235 r=\"middle\" x=\"25\n+0000c190: 3336 2e35 3622 2079 3d22 2d31 3532 2e36 36.56\" y=\"-152.6\n+0000c1a0: 3822 2066 6f6e 742d 6661 6d69 6c79 3d22 8\" font-family=\"\n+0000c1b0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+0000c1c0: 697a 653d 2231 302e 3030 223e 7265 7374 ize=\"10.00\">rest\n+0000c1d0: 7261 696e 743c 2f74 6578 743e 0a3c 2f61 raint</text>.</a\n+0000c1e0: 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d >.</g>.</g>.<!--\n+0000c1f0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000c200: 6163 735f 7265 7374 7261 696e 7426 2334 acs_restraint\n+0000c210: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000c220: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+0000c230: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000c240: 3539 2220 636c 6173 733d 2265 6467 6522 59\" class=\"edge\"\n+0000c250: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000c260: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0000c270: 7261 696e 7426 2334 353b 2667 743b 6d6f raint->mo\n+0000c280: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c290: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+0000c2a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0000c440: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...mod\n+0000c4b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000c4c0: 7265 7374 7261 696e 7426 2334 353b 2667 restraint-&g\n+0000c4d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000c4e0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec</tit\n+0000c4f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000c500: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000c510: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000c520: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000c530: 224d 3235 3332 2e31 322c 2d31 3638 2e36 \"M2532.12,-168.6\n+0000c540: 3543 3235 3235 2e31 382c 2d31 3836 2e31 5C2525.18,-186.1\n+0000c550: 2032 3530 392e 3937 2c2d 3231 372e 3234 2509.97,-217.24\n+0000c560: 2032 3438 352e 3536 2c2d 3233 312e 3438 2485.56,-231.48\n+0000c570: 2032 3433 382e 312c 2d32 3539 2e31 3620 2438.1,-259.16 \n+0000c580: 3230 3633 2e37 2c2d 3237 342e 3035 2031 2063.7,-274.05 1\n+0000c590: 3933 312e 3535 2c2d 3237 382e 3438 222f 931.55,-278.48\"/\n+0000c5a0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000c5b0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0000c5c0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0000c5d0: 733d 2231 3933 312e 3234 2c2d 3237 342e s=\"1931.24,-274.\n+0000c5e0: 3939 2031 3932 312e 3336 2c2d 3237 382e 99 1921.36,-278.\n+0000c5f0: 3832 2031 3933 312e 3437 2c2d 3238 312e 82 1931.47,-281.\n+0000c600: 3939 2031 3933 312e 3234 2c2d 3237 342e 99 1931.24,-274.\n+0000c610: 3939 222f 3e0a 3c2f 673e 0a3c 212d 2d20 99\"/>.</g>.<!-- \n+0000c620: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000c630: 6373 5f72 6573 7472 6169 6e74 2623 3435 cs_restraint-\n+0000c640: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000c650: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n+0000c660: 2d3e 0a3c 6720 6964 3d22 6564 6765 3538 ->.<g id=\"edge58\n+0000c670: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+0000c680: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+0000c690: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n+0000c6a0: 696e 7426 2334 353b 2667 743b 6d6f 6475 int->modu\n+0000c6b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0000c6c0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......modul\n+0000c850: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0000c860: 7272 656c 6174 696f 6e66 756e 6374 696f rrelationfunctio\n+0000c870: 6e73 2623 3435 3b26 6774 3b6d 6f64 756c ns->modul\n+0000c880: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n+0000c890: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t......module_src_grom\n+0000ca30: 6163 735f 636f 7272 656c 6174 696f 6e66 acs_correlationf\n+0000ca40: 756e 6374 696f 6e73 2623 3435 3b26 6774 unctions->\n+0000ca50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ca60: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio......module\n+0000cc00: 5f73 7263 5f67 726f 6d61 6373 5f63 6f72 _src_gromacs_cor\n+0000cc10: 7265 6c61 7469 6f6e 6675 6e63 7469 6f6e relationfunction\n+0000cc20: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0000cc30: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000cc40: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+0000cc50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n+0000cd30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+0000cd80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0000cd90: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n+0000cda0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+0000cdb0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+0000cdc0: 6c61 636b 2220 6378 3d22 3133 3038 2e35 lack\" cx=\"1308.5\n+0000cdd0: 3622 2063 793d 222d 3135 352e 3138 2220 6\" cy=\"-155.18\" \n+0000cde0: 7278 3d22 3331 2e32 3322 2072 793d 2231 rx=\"31.23\" ry=\"1\n+0000cdf0: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.pulling....module_src_grom\n+0000cee0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+0000cef0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000cf00: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib...\n+0000d0b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+0000d120: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000d130: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+0000d140: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000d150: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0000d160: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0000d170: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 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6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0000d270: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0000d280: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+0000d290: 3734 392e 3138 2c2d 3931 302e 3536 2031 749.18,-910.56 1\n+0000d2a0: 3735 392e 3337 2c2d 3930 372e 3638 2031 759.37,-907.68 1\n+0000d2b0: 3734 392e 362c 2d39 3033 2e35 3720 3137 749.6,-903.57 17\n+0000d2c0: 3439 2e31 382c 2d39 3130 2e35 3622 2f3e 49.18,-910.56\"/>\n+0000d2d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000d2e0: 655f 7372 635f 6772 6f6d 6163 735f 7075 e_src_gromacs_pu\n+0000d2f0: 6c6c 696e 6726 2334 353b 2667 743b 6d6f lling->mo\n+0000d300: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000d310: 5f6d 6472 756e 7574 696c 6974 7920 2d2d _mdrunutility --\n+0000d320: 3e0a 3c67 2069 643d 2265 6467 6536 3722 >.<g id=\"edge67\"\n+0000d330: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+0000d340: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0000d350: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+0000d360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000d370: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000d380: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+0000d390: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0000d510: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+0000d580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000d590: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+0000d5a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000d5b0: 6d61 6373 5f64 6f6d 6465 633c 2f74 6974 macs_domdec</tit\n+0000d5c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000d5d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000d5e0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000d5f0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000d600: 224d 3133 3339 2e30 312c 2d31 3538 2e32 \"M1339.01,-158.2\n+0000d610: 3943 3134 3031 2e31 322c 2d31 3633 2e30 9C1401.12,-163.0\n+0000d620: 3620 3135 3436 2e35 372c 2d31 3736 2e34 6 1546.57,-176.4\n+0000d630: 3620 3136 3635 2e35 362c 2d32 3034 2e36 6 1665.56,-204.6\n+0000d640: 3120 3137 3333 2e37 352c 2d32 3230 2e37 1 1733.75,-220.7\n+0000d650: 3420 3138 3130 2e36 322c 2d32 3439 2e36 4 1810.62,-249.6\n+0000d660: 3220 3138 3533 2e30 342c 2d32 3636 2e35 2 1853.04,-266.5\n+0000d670: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+0000d680: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0000d690: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0000d6a0: 696e 7473 3d22 3138 3531 2e39 372c 2d32 ints=\"1851.97,-2\n+0000d6b0: 3639 2e38 3920 3138 3632 2e35 362c 2d32 69.89 1862.56,-2\n+0000d6c0: 3730 2e33 3720 3138 3534 2e35 382c 2d32 70.37 1854.58,-2\n+0000d6d0: 3633 2e33 3920 3138 3531 2e39 372c 2d32 63.39 1851.97,-2\n+0000d6e0: 3639 2e38 3922 2f3e 0a3c 2f67 3e0a 3c21 69.89\"/>.</g>.<!\n+0000d6f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0000d700: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n+0000d710: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000d720: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+0000d730: 2d2d 3e0a 3c67 2069 643d 2265 6467 6536 -->.<g id=\"edge6\n+0000d740: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n+0000d750: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0000d760: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0000d770: 6e67 2623 3435 3b26 6774 3b6d 6f64 756c ng->modul\n+0000d780: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+0000d790: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......module_src_gro\n+0000d920: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+0000d930: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000d940: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib....\n+0000da60: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+0000dad0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000dae0: 735f 7075 6c6c 696e 6726 2334 353b 2667 s_pulling-&g\n+0000daf0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000db00: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0000db10: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n+0000ded0: 6163 735f 636f 6f72 6469 6e61 7465 696f acs_coordinateio\n+0000dee0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000def0: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+0000df00: 6f6e 733c 2f74 6974 6c65 3e0a 3c70 6174 ons......mo\n+0000e130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e140: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+0000e150: 6373 2623 3435 3b26 6774 3b6d 6f64 756c cs->modul\n+0000e160: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000e170: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib.....<\n+0000e340: 6720 6964 3d22 6564 6765 3737 2220 636c g id=\"edge77\" cl\n+0000e350: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000e370: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+0000e380: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n+0000e390: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000e3a0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes....<\n+0000e5b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000e5c0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000e5d0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000e5e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000e5f0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0000e600: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module_\n+0000e630: 7372 635f 6772 6f6d 6163 735f 6573 7365 src_gromacs_esse\n+0000e640: 6e74 6961 6c64 796e 616d 6963 7326 2334 ntialdynamics\n+0000e650: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000e660: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0000e670: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility......module_src_grom\n+0000e8b0: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+0000e8c0: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n+0000e8d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e8e0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n+0000e8f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0000e9a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000e9b0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000e9c0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000e9d0: 3138 3735 2e33 382c 2d32 3539 2e31 3120 1875.38,-259.11 \n+0000e9e0: 3138 3831 2e38 382c 2d32 3637 2e34 3820 1881.88,-267.48 \n+0000e9f0: 3138 3832 2e30 322c 2d32 3536 2e38 3920 1882.02,-256.89 \n+0000ea00: 3138 3735 2e33 382c 2d32 3539 2e31 3122 1875.38,-259.11\"\n+0000ea10: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....modu\n+0000ea90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0000eaa0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+0000eab0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000eac0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+0000ead0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io....<\n+0000ec40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000ec50: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000ec60: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000ec70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ec80: 6163 735f 676d 786c 6962 202d 2d3e 0a3c acs_gmxlib -->.<\n+0000ec90: 6720 6964 3d22 6564 6765 3734 2220 636c g id=\"edge74\" cl\n+0000eca0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000ecc0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+0000ecd0: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n+0000ece0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000ecf0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib.....\n+0000ee30: 3c67 2069 643d 2265 6467 6537 3122 2063 .module_src_g\n+0000ee60: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+0000ee70: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+0000ee80: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000ee90: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+0000eea0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n+0000f050: 0a3c 6720 6964 3d22 6e6f 6465 3137 2220 ..module_src_\n+0000f080: 6772 6f6d 6163 735f 616e 616c 7973 6973 gromacs_analysis\n+0000f090: 6461 7461 3c2f 7469 746c 653e 0a3c 6720 data...ana\n+0000f1c0: 6c79 7369 7364 6174 613c 2f74 6578 743e lysisdata\n+0000f1d0: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a ....\n+0000f1e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+0000f250: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f260: 735f 616e 616c 7973 6973 6461 7461 2623 s_analysisdata&#\n+0000f270: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f280: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0000f290: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+0000f3c0: 3c67 2069 643d 2265 6467 6538 3322 2063 .module_src_g\n+0000f3f0: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0000f400: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+0000f410: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+0000f420: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n+0000f430: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+0000f5b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000f5c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000f5d0: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n+0000f5e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000f5f0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+0000f600: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path 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635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+0000f700: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n+0000f710: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000f720: 735f 6d64 7275 6e20 2d2d 3e0a 3c67 2069 s_mdrun -->.<g i\n+0000f730: 643d 2265 6467 6538 3422 2063 6c61 7373 d=\"edge84\" class\n+0000f740: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0000f750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000f760: 6373 5f6d 6472 756e 7574 696c 6974 7926 cs_mdrunutility&\n+0000f770: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000f780: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000f790: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modul\n+0000f9a0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000f9b0: 7275 6e75 7469 6c69 7479 2623 3435 3b26 runutility-&\n+0000f9c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000f9d0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+0000f9e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f9f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000fa00: 6266 6266 6266 2220 643d 224d 3134 3535 bfbfbf\" d=\"M1455\n+0000fa10: 2e39 362c 2d37 3137 2e33 4331 3339 322e .96,-717.3C1392.\n+0000fa20: 3837 2c2d 3731 322e 3434 2031 3237 362e 87,-712.44 1276.\n+0000fa30: 3434 2c2d 3639 392e 3938 2031 3138 312e 44,-699.98 1181.\n+0000fa40: 3536 2c2d 3637 312e 3537 2031 3135 332e 56,-671.57 1153.\n+0000fa50: 3936 2c2d 3636 332e 3331 2031 3134 392e 96,-663.31 1149.\n+0000fa60: 3632 2c2d 3635 342e 3539 2031 3132 322e 62,-654.59 1122.\n+0000fa70: 3536 2c2d 3634 342e 3720 3130 3737 2e35 56,-644.7 1077.5\n+0000fa80: 362c 2d36 3238 2e32 3620 3130 3234 2e32 6,-628.26 1024.2\n+0000fa90: 372c 2d36 3134 2e31 3120 3939 302e 3739 7,-614.11 990.79\n+0000faa0: 2c2d 3630 352e 3432 222f 3e0a 3c70 6f6c ,-605.42\"/>.<pol\n+0000fab0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+0000fac0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+0000fad0: 6662 6622 2070 6f69 6e74 733d 2239 3931 fbf\" points=\"991\n+0000fae0: 2e36 332c 2d36 3032 2e30 3320 3938 312e .63,-602.03 981.\n+0000faf0: 3037 2c2d 3630 322e 3931 2039 3839 2e38 07,-602.91 989.8\n+0000fb00: 372c 2d36 3038 2e38 2039 3931 2e36 332c 7,-608.8 991.63,\n+0000fb10: 2d36 3032 2e30 3322 2f3e 0a3c 2f67 3e0a -602.03\"/>.</g>.\n+0000fb20: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0000fb30: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+0000fb40: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n+0000fb50: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000fb60: 676d 786c 6962 202d 2d3e 0a3c 6720 6964 gmxlib -->.<g id\n+0000fb70: 3d22 6564 6765 3832 2220 636c 6173 733d =\"edge82\" class=\n+0000fb80: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0000fb90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fba0: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n+0000fbb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000fbc0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0000fbd0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+0000fda0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+0000fdf0: 3c67 2069 643d 2265 6467 6538 3122 2063 .module_src_g\n+0000fe20: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0000fe30: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+0000fe40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0000fe50: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline..\n+0000ff50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+0000ffa0: 655f 7372 635f 6772 6f6d 6163 735f 7369 e_src_gromacs_si\n+0000ffb0: 6d64 3c2f 7469 746c 653e 0a3c 6720 6964 md...<\n+00010070: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00010080: 3d22 6d69 6464 6c65 2220 783d 2232 3131 =\"middle\" x=\"211\n+00010090: 332e 3536 2220 793d 222d 3130 3935 2e37 3.56\" y=\"-1095.7\n+000100a0: 3322 2066 6f6e 742d 6661 6d69 6c79 3d22 3\" font-family=\"\n+000100b0: 4672 6565 5361 6e73 2220 666f 6e74 2d73 FreeSans\" font-s\n+000100c0: 697a 653d 2231 302e 3030 223e 7369 6d64 ize=\"10.00\">simd\n+000100d0: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......mo\n+00010130: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00010140: 5f74 696d 696e 673c 2f74 6974 6c65 3e0a _timing.\n+00010150: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .timing....module_src_gro\n+00010290: 6d61 6373 5f74 696d 696e 6726 2334 353b macs_timing-\n+000102a0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000102b0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes..\n+00010330: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .\n+000103a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n 00010410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n 00010420: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n 00010430: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00010440: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n-00010450: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00010460: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-00010470: 6662 6662 6622 2064 3d22 4d39 3339 2e38 fbfbf\" d=\"M939.8\n-00010480: 2c2d 3532 312e 3037 4339 3538 2e31 342c ,-521.07C958.14,\n-00010490: 2d35 3131 2e34 3320 3938 362e 3038 2c2d -511.43 986.08,-\n-000104a0: 3439 362e 3534 2031 3031 302c 2d34 3832 496.54 1010,-482\n-000104b0: 2e39 3620 3130 3737 2e35 362c 2d34 3434 .96 1077.56,-444\n-000104c0: 2e36 2031 3038 362e 3138 2c2d 3431 372e .6 1086.18,-417.\n-000104d0: 3433 2031 3136 302c 2d33 3933 2e32 3220 43 1160,-393.22 \n-000104e0: 3132 3438 2e31 352c 2d33 3634 2e33 3120 1248.15,-364.31 \n-000104f0: 3135 3331 2e33 312c 2d33 3530 2e33 3520 1531.31,-350.35 \n-00010500: 3136 3333 2e31 312c 2d33 3436 2e31 3822 1633.11,-346.18\"\n-00010510: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon 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6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00010610: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00010620: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00010630: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .\n-000106a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....<\n-00010760: 6720 6964 3d22 6564 6765 3739 2220 636c g id=\"edge79\" cl\n-00010770: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-00010790: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-000107a0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000107b0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib......m\n-00010930: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010940: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-00010950: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00010960: 6163 735f 696d 643c 2f74 6974 6c65 3e0a acs_imd.\n-00010970: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n-000109f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00010a00: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00010a10: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00010a20: 3133 3136 2e36 382c 2d34 3738 2e35 3120 1316.68,-478.51 \n-00010a30: 3133 3236 2e31 332c 2d34 3733 2e37 3220 1326.13,-473.72 \n-00010a40: 3133 3135 2e37 362c 2d34 3731 2e35 3720 1315.76,-471.57 \n-00010a50: 3133 3136 2e36 382c 2d34 3738 2e35 3122 1316.68,-478.51\"\n-00010a60: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-00010ab0: 3c67 2069 643d 2265 6467 6538 3522 2063 .module_src_g\n-00010ae0: 726f 6d61 6373 5f64 6f6d 6465 6326 2334 romacs_domdec\n-00010af0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00010b00: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n-00010b10: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls....\n-00010cb0: 0a3c 6720 6964 3d22 6564 6765 3837 2220 ..module_src_\n-00010ce0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n-00010cf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00010d00: 635f 6772 6f6d 6163 735f 6861 7264 7761 c_gromacs_hardwa\n-00010d10: 7265 3c2f 7469 746c 653e 0a3c 7061 7468 re...\n-00010e40: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-00010eb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00010ec0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n-00010ed0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00010ee0: 735f 6e62 6e78 6d3c 2f74 6974 6c65 3e0a s_nbnxm.\n-00010ef0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module\n-00011050: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-00011060: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-00011070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-00011080: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald......\n-000111e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-000111f0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-00011200: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011210: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-00011220: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes....\n-000113d0: 0a3c 6720 6964 3d22 6e6f 6465 3230 2220 ..module_src_\n-00011400: 6772 6f6d 6163 735f 7365 6c65 6374 696f gromacs_selectio\n-00011410: 6e3c 2f74 6974 6c65 3e0a 3c67 2069 643d n.\n-00011480: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..s\n-00011530: 656c 6563 7469 6f6e 3c2f 7465 7874 3e0a election.\n-00011540: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-00011550: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011560: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n-00011570: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011580: 7372 635f 6772 6f6d 6163 735f 7261 6e64 src_gromacs_rand\n-00011590: 6f6d 202d 2d3e 0a3c 6720 6964 3d22 6564 om -->..modul\n-000115c0: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n-000115d0: 6c65 6374 696f 6e26 2334 353b 2667 743b lection->\n-000115e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000115f0: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-00011600: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00011610: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-00011620: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-00011630: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00011640: 3230 3935 2e35 2c2d 3430 322e 3135 4332 2095.5,-402.15C2\n-00011650: 3139 342e 3936 2c2d 3339 312e 3536 2032 194.96,-391.56 2\n-00011660: 3435 322e 322c 2d33 3535 2e31 3220 3233 452.2,-355.12 23\n-00011670: 3637 2c2d 3236 372e 3438 2032 3334 322e 67,-267.48 2342.\n-00011680: 332c 2d32 3432 2e30 3820 3131 3237 2e34 3,-242.08 1127.4\n-00011690: 2c2d 3233 322e 3834 2031 3039 322c 2d32 ,-232.84 1092,-2\n-000116a0: 3331 2e34 3820 3130 3137 2e35 342c 2d32 31.48 1017.54,-2\n-000116b0: 3238 2e36 3220 3933 302e 3935 2c2d 3232 28.62 930.95,-22\n-000116c0: 342e 3138 2038 3739 2e39 362c 2d32 3231 4.18 879.96,-221\n-000116d0: 2e34 3522 2f3e 0a3c 706f 6c79 676f 6e20 .45\"/>.<polygon \n-000116e0: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n-000116f0: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n-00011700: 706f 696e 7473 3d22 3838 302e 3132 2c2d points=\"880.12,-\n-00011710: 3231 372e 3936 2038 3639 2e39 352c 2d32 217.96 869.95,-2\n-00011720: 3230 2e39 3120 3837 392e 3734 2c2d 3232 20.91 879.74,-22\n-00011730: 342e 3935 2038 3830 2e31 322c 2d32 3137 4.95 880.12,-217\n-00011740: 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d .96\"/>.</g>.<!--\n-00011750: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00011760: 6163 735f 6f6e 6c69 6e65 6865 6c70 202d acs_onlinehelp -\n-00011770: 2d3e 0a3c 6720 6964 3d22 6e6f 6465 3238 ->.<g id=\"node28\n-00011780: 2220 636c 6173 733d 226e 6f64 6522 3e0a \" class=\"node\">.\n-00011790: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000117a0: 635f 6772 6f6d 6163 735f 6f6e 6c69 6e65 c_gromacs_online\n-000117b0: 6865 6c70 3c2f 7469 746c 653e 0a3c 6720 help...onlinehelp<\n-000118e0: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n-000118f0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-00011b00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00011b10: 735f 7365 6c65 6374 696f 6e26 2334 353b s_selection-\n-00011b20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00011b30: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f romacs_options</\n-00011b40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00011b50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00011b60: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00011b70: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00011b80: 2064 3d22 4d32 3032 362e 3932 2c2d 3339 d=\"M2026.92,-39\n-00011b90: 382e 3238 4332 3031 392e 3433 2c2d 3339 8.28C2019.43,-39\n-00011ba0: 362e 3536 2032 3031 312e 3434 2c2d 3339 6.56 2011.44,-39\n-00011bb0: 342e 3738 2032 3030 342c 2d33 3933 2e32 4.78 2004,-393.2\n-00011bc0: 3220 3139 3238 2e34 352c 2d33 3737 2e33 2 1928.45,-377.3\n-00011bd0: 3520 3138 3339 2e38 322c 2d33 3631 2e30 5 1839.82,-361.0\n-00011be0: 3320 3137 3839 2e34 352c 2d33 3531 2e39 3 1789.45,-351.9\n-00011bf0: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>.<polygon fi\n-00011c00: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-00011c10: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-00011c20: 696e 7473 3d22 3137 3839 2e37 362c 2d33 ints=\"1789.76,-3\n-00011c30: 3438 2e34 3720 3137 3739 2e33 2c2d 3335 48.47 1779.3,-35\n-00011c40: 302e 3135 2031 3738 382e 3533 2c2d 3335 0.15 1788.53,-35\n-00011c50: 352e 3336 2031 3738 392e 3736 2c2d 3334 5.36 1789.76,-34\n-00011c60: 382e 3437 222f 3e0a 3c2f 673e 0a3c 212d 8.47\"/>.</g>.<!-\n-00011c70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00011c80: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00011c90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00011ca0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n-00011cb0: 3c67 2069 643d 2265 6467 6531 3033 2220 <g id=\"edge103\" \n-00011cc0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00011cd0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00011ce0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-00011cf0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00011d00: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n-00011d10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00011d20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00011d30: 2272 6564 2220 643d 224d 3735 312e 342c \"red\" d=\"M751.4,\n-00011d40: 2d37 3936 2e34 3143 3734 332e 312c 2d38 -796.41C743.1,-8\n-00011d50: 3035 2e35 3520 3733 322e 362c 2d38 3139 05.55 732.6,-819\n-00011d60: 2e31 2037 3238 2c2d 3833 332e 3331 2036 .1 728,-833.31 6\n-00011d70: 3938 2e35 322c 2d39 3234 2e34 3320 3636 98.52,-924.43 66\n-00011d80: 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6d6f 6475 6c65 n->module\n-00011e70: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n-00011e80: 7472 6169 6e74 202d 2d3e 0a3c 6720 6964 traint -->.<g id\n-00011e90: 3d22 6564 6765 3131 3522 2063 6c61 7373 =\"edge115\" class\n-00011ea0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00011eb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011ec0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00011ed0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00011ee0: 6163 735f 7265 7374 7261 696e 743c 2f74 acs_restraint</t\n-00011ef0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00011f00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00011f10: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-00011f20: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-00011f30: 643d 224d 3737 352e 3639 2c2d 3737 312e d=\"M775.69,-771.\n-00011f40: 3439 4337 3835 2e34 362c 2d37 3632 2e32 49C785.46,-762.2\n-00011f50: 3320 3739 382e 382c 2d37 3438 2e34 3520 3 798.8,-748.45 \n-00011f60: 3830 382c 2d37 3334 2e34 3420 3831 382e 808,-734.44 818.\n-00011f70: 3935 2c2d 3731 372e 3736 2038 3237 2e37 95,-717.76 827.7\n-00011f80: 382c 2d36 3936 2e38 3520 3833 332e 3534 8,-696.85 833.54\n-00011f90: 2c2d 3638 312e 3322 2f3e 0a3c 706f 6c79 ,-681.3\"/>.<poly\n-00011fa0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-00011fb0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-00011fc0: 6363 2220 706f 696e 7473 3d22 3833 362e cc\" points=\"836.\n-00011fd0: 3937 2c2d 3638 322e 3120 3833 372e 3032 97,-682.1 837.02\n-00011fe0: 2c2d 3637 312e 3531 2038 3330 2e33 372c ,-671.51 830.37,\n-00011ff0: 2d36 3739 2e37 3620 3833 362e 3937 2c2d -679.76 836.97,-\n-00012000: 3638 322e 3122 2f3e 0a3c 2f67 3e0a 3c21 682.1\"/>.</g>.<!\n-00012010: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00012020: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00012030: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00012040: 726f 6d61 6373 5f72 616e 646f 6d20 2d2d romacs_random --\n-00012050: 3e0a 3c67 2069 643d 2265 6467 6531 3136 >.<g id=\"edge116\n-00012060: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00012070: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00012080: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-00012090: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000120a0: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-000120b0: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m......module_src_grom\n-00012270: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00012280: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00012290: 6d61 6373 5f70 756c 6c69 6e67 3c2f 7469 macs_pulling....\n+00010700: 0a3c 6720 6964 3d22 6564 6765 3838 2220 ..module_src_\n+00010730: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+00010740: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00010750: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+00010760: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n+00010830: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n+000108f0: 6720 6964 3d22 6564 6765 3837 2220 636c g id=\"edge87\" cl\n+00010900: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00010920: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00010930: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00010940: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n+00010950: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...<\n+00010af0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n+00010b40: 6720 6964 3d22 6564 6765 3936 2220 636c g id=\"edge96\" cl\n+00010b50: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00010b70: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00010b80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00010b90: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00010ba0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...\n+00010dc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+00010e30: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00010e40: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+00010e50: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00010e60: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run.....<\n+00010fe0: 6720 6964 3d22 6564 6765 3930 2220 636c g id=\"edge90\" cl\n+00010ff0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00011010: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+00011020: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011030: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00011040: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces...<\n+00011140: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+000111b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000111c0: 646f 6d64 6563 2623 3435 3b26 6774 3b6d domdec->m\n+000111d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000111e0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+000111f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00011370: 0a3c 6720 6964 3d22 6564 6765 3933 2220 ..module_src_\n+000113a0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+000113b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000113c0: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n+000113d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00011470: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n+00011560: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00011570: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00011580: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib.....\n+00011700: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00011710: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00011720: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00011730: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n+00011740: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....\n+00011900: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00011960: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00011970: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00011980: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00011990: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+000119a0: 786d 3c2f 7469 746c 653e 0a3c 7061 7468 xm...\n+00011aa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_src_grom\n+00011b20: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+00011b30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00011b40: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n+00011b50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+00011cb0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gro\n+00011da0: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n+00011db0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00011dc0: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald.....\n+00011f00: 3c67 2069 643d 226e 6f64 6532 3222 2063 .module_src_g\n+00011f30: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+00011f40: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ..\n+00011fb0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .selection...<\n+00012080: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_grom\n+00012100: 6163 735f 7365 6c65 6374 696f 6e26 2334 acs_selection\n+00012110: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00012120: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n+00012130: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+00012240: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...<\n+000122b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000122c0: 726f 6d61 6373 5f6f 6e6c 696e 6568 656c romacs_onlinehel\n+000122d0: 7020 2d2d 3e0a 3c67 2069 643d 226e 6f64 p -->..module\n+00012300: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n+00012310: 696e 6568 656c 703c 2f74 6974 6c65 3e0a inehelp.\n+00012320: 3c67 2069 643d 2261 5f6e 6f64 6533 3022 ..on\n+00012440: 6c69 6e65 6865 6c70 3c2f 7465 7874 3e0a linehelp.\n+00012450: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+00012460: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00012470: 726f 6d61 6373 5f73 656c 6563 7469 6f6e romacs_selection\n+00012480: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00012490: 7372 635f 6772 6f6d 6163 735f 6f6e 6c69 src_gromacs_onli\n+000124a0: 6e65 6865 6c70 202d 2d3e 0a3c 6720 6964 nehelp -->..\n+000124d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000124e0: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+000124f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012500: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n+00012510: 6c70 3c2f 7469 746c 653e 0a3c 7061 7468 lp......module\n-00012670: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00012680: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00012690: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000126a0: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-000126b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000126c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000126d0: 3266 6363 2220 643d 224d 3739 332e 3336 2fcc\" d=\"M793.36\n-000126e0: 2c2d 3738 372e 3038 4339 3039 2e30 372c ,-787.08C909.07,\n-000126f0: 2d37 3935 2e39 2031 3332 322e 3535 2c2d -795.9 1322.55,-\n-00012700: 3832 382e 3831 2031 3437 322e 3337 2c2d 828.81 1472.37,-\n-00012710: 3834 312e 3039 222f 3e0a 3c70 6f6c 7967 841.09\"/>.<polyg\n-00012720: 6f6e 2066 696c 6c3d 2223 3238 3266 6363 on fill=\"#282fcc\n-00012730: 2220 7374 726f 6b65 3d22 2332 3832 6663 \" stroke=\"#282fc\n-00012740: 6322 2070 6f69 6e74 733d 2231 3437 322e c\" points=\"1472.\n-00012750: 3434 2c2d 3834 342e 3631 2031 3438 322e 44,-844.61 1482.\n-00012760: 372c 2d38 3431 2e39 3420 3134 3733 2e30 7,-841.94 1473.0\n-00012770: 312c 2d38 3337 2e36 3320 3134 3732 2e34 1,-837.63 1472.4\n-00012780: 342c 2d38 3434 2e36 3122 2f3e 0a3c 2f67 4,-844.61\"/>.</g\n-00012790: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000127a0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-000127b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000127c0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-000127d0: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-000127e0: 6539 3722 2063 6c61 7373 3d22 6564 6765 e97\" class=\"edge\n-000127f0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00012800: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00012810: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00012820: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00012830: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec.....\n-000129b0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000129c0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-000129d0: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n-000129e0: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-000129f0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00012a00: 3d22 626c 6163 6b22 2063 783d 2231 3237 =\"black\" cx=\"127\n-00012a10: 3322 2063 793d 222d 3732 312e 3031 2220 3\" cy=\"-721.01\" \n-00012a20: 7278 3d22 3536 2e36 3422 2072 793d 2231 rx=\"56.64\" ry=\"1\n-00012a30: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-00012a40: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-00012a50: 6522 2078 3d22 3132 3733 2220 793d 222d e\" x=\"1273\" y=\"-\n-00012a60: 3731 382e 3531 2220 666f 6e74 2d66 616d 718.51\" font-fam\n-00012a70: 696c 793d 2246 7265 6553 616e 7322 2066 ily=\"FreeSans\" f\n-00012a80: 6f6e 742d 7369 7a65 3d22 3130 2e30 3022 ont-size=\"10.00\"\n-00012a90: 3e61 7070 6c69 6564 5f66 6f72 6365 733c >applied_forces<\n-00012aa0: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n-00012ab0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-00012ac0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-00012ad0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00012ae0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-00012af0: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265 ces -->.<g id=\"e\n-00012b00: 6467 6531 3138 2220 636c 6173 733d 2265 dge118\" class=\"e\n-00012b10: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00012b20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012b30: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00012b40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012b50: 5f61 7070 6c69 6564 5f66 6f72 6365 733c _applied_forces<\n-00012b60: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00012b70: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00012b80: 3d22 7265 6422 2064 3d22 4d37 3932 2e36 =\"red\" d=\"M792.6\n-00012b90: 322c 2d37 3739 2e33 3443 3837 342e 3339 2,-779.34C874.39\n-00012ba0: 2c2d 3736 392e 3538 2031 3130 342e 3336 ,-769.58 1104.36\n-00012bb0: 2c2d 3734 322e 3133 2031 3231 332e 3736 ,-742.13 1213.76\n-00012bc0: 2c2d 3732 392e 3038 222f 3e0a 3c70 6f6c ,-729.08\"/>.<pol\n-00012bd0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n-00012be0: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n-00012bf0: 6e74 733d 2231 3231 342e 3434 2c2d 3733 nts=\"1214.44,-73\n-00012c00: 322e 3532 2031 3232 332e 3936 2c2d 3732 2.52 1223.96,-72\n-00012c10: 372e 3836 2031 3231 332e 3631 2c2d 3732 7.86 1213.61,-72\n-00012c20: 352e 3537 2031 3231 342e 3434 2c2d 3733 5.57 1214.44,-73\n-00012c30: 322e 3532 222f 3e0a 3c2f 673e 0a3c 212d 2.52\"/>.</g>.<!-\n-00012c40: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-00012c50: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00012c60: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012c70: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00012c80: 6365 7320 2d2d 3e0a 3c67 2069 643d 2265 ces -->.<g id=\"e\n-00012c90: 6467 6531 3032 2220 636c 6173 733d 2265 dge102\" class=\"e\n-00012ca0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00012cb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00012cc0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00012cd0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012ce0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n-00012cf0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00012d00: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00012d10: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00012d20: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00012d30: 2064 3d22 4d37 3531 2e38 322c 2d37 3731 d=\"M751.82,-771\n-00012d40: 2e32 3443 3734 332e 3139 2c2d 3736 312e .24C743.19,-761.\n-00012d50: 3834 2037 3331 2e33 362c 2d37 3437 2e39 84 731.36,-747.9\n-00012d60: 3920 3732 332c 2d37 3334 2e34 3420 3637 9 723,-734.44 67\n-00012d70: 342e 3934 2c2d 3635 362e 3438 2036 3538 4.94,-656.48 658\n-00012d80: 2e38 352c 2d36 3335 2e34 3520 3634 302c .85,-635.45 640,\n-00012d90: 2d35 3435 2e38 3320 3631 382e 392c 2d34 -545.83 618.9,-4\n-00012da0: 3435 2e34 3820 3638 312e 3731 2c2d 3233 45.48 681.71,-23\n-00012db0: 322e 3731 2037 3132 2c2d 3230 342e 3631 2.71 712,-204.61\n-00012dc0: 2037 3434 2e33 312c 2d31 3734 2e36 3420 744.31,-174.64 \n-00012dd0: 3836 352e 3532 2c2d 3136 332e 3034 2039 865.52,-163.04 9\n-00012de0: 3430 2e30 312c 2d31 3538 2e36 3822 2f3e 40.01,-158.68\"/>\n-00012df0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00012e00: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00012e10: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00012e20: 3d22 3934 302e 3431 2c2d 3136 322e 3136 =\"940.41,-162.16\n-00012e30: 2039 3530 2e32 2c2d 3135 382e 3131 2039 950.2,-158.11 9\n-00012e40: 3430 2e30 322c 2d31 3535 2e31 3720 3934 40.02,-155.17 94\n-00012e50: 302e 3431 2c2d 3136 322e 3136 222f 3e0a 0.41,-162.16\"/>.\n-00012e60: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-00012e70: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00012e80: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00012e90: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-00012ea0: 6c65 696f 202d 2d3e 0a3c 6720 6964 3d22 leio -->.<g id=\"\n-00012eb0: 6564 6765 3131 3122 2063 6c61 7373 3d22 edge111\" class=\"\n-00012ec0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-00012ed0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00012ee0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-00012ef0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00012f00: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-00012f10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-000130b0: 0a3c 6720 6964 3d22 6564 6765 3131 3722 ..<\n-000130d0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-000130e0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-000130f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00013100: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-00013110: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n-000132e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-000132f0: 6173 6b61 7373 6967 6e6d 656e 743c 2f74 askassignment</t\n-00013300: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n-00013310: 6f64 6533 3022 3e3c 6120 786c 696e 6b3a ode30\"><a xlink:\n-00013320: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n-00013330: 756c 655f 5f74 6173 6b61 7373 6967 6e6d ule__taskassignm\n-00013340: 656e 742e 7868 746d 6c22 2074 6172 6765 ent.xhtml\" targe\n-00013350: 743d 225f 746f 7022 2078 6c69 6e6b 3a74 t=\"_top\" xlink:t\n-00013360: 6974 6c65 3d22 7461 736b 6173 7369 676e itle=\"taskassign\n-00013370: 6d65 6e74 223e 0a3c 656c 6c69 7073 6520 ment\">.<ellipse \n-00013380: 6669 6c6c 3d22 2365 3563 6366 6622 2073 fill=\"#e5ccff\" s\n-00013390: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n-000133a0: 3d22 3532 3522 2063 793d 222d 3231 382e =\"525\" cy=\"-218.\n-000133b0: 3035 2220 7278 3d22 3630 2e36 3222 2072 05\" rx=\"60.62\" r\n-000133c0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-000133d0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-000133e0: 6964 646c 6522 2078 3d22 3532 3522 2079 iddle\" x=\"525\" y\n-000133f0: 3d22 2d32 3135 2e35 3522 2066 6f6e 742d =\"-215.55\" font-\n-00013400: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-00013410: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-00013420: 3030 223e 7461 736b 6173 7369 676e 6d65 00\">taskassignme\n-00013430: 6e74 3c2f 7465 7874 3e0a 3c2f 613e 0a3c nt</text>.</a>.<\n-00013440: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>.</g>.<!-- mo\n-00013450: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013460: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-00013470: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013480: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n-00013490: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-000134a0: 3130 3722 2063 6c61 7373 3d22 6564 6765 107\" class=\"edge\n-000134b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-000134c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000134d0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-000134e0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-000134f0: 736b 6173 7369 676e 6d65 6e74 3c2f 7469 skassignment</ti\n-00013500: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00013510: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00013520: 6564 2220 643d 224d 3734 352e 3236 2c2d ed\" d=\"M745.26,-\n-00013530: 3737 322e 3736 4337 3331 2e31 312c 2d37 772.76C731.11,-7\n-00013540: 3634 2e30 3220 3731 312e 3439 2c2d 3735 64.02 711.49,-75\n-00013550: 302e 3331 2036 3938 2c2d 3733 342e 3434 0.31 698,-734.44\n-00013560: 2036 3934 2e31 372c 2d37 3239 2e39 3420 694.17,-729.94 \n-00013570: 3630 322e 3137 2c2d 3535 312e 3332 2036 602.17,-551.32 6\n-00013580: 3030 2c2d 3534 352e 3833 2035 3637 2e39 00,-545.83 567.9\n-00013590: 382c 2d34 3634 2e38 3620 3536 352e 3635 8,-464.86 565.65\n-000135a0: 2c2d 3434 322e 3237 2035 3437 2c2d 3335 ,-442.27 547,-35\n-000135b0: 372e 3232 2035 3338 2e31 372c 2d33 3136 7.22 538.17,-316\n-000135c0: 2e39 3720 3533 312e 3338 2c2d 3236 392e .97 531.38,-269.\n-000135d0: 3420 3532 372e 3831 2c2d 3234 312e 3837 4 527.81,-241.87\n-000135e0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-000135f0: 6c3d 2272 6564 2220 7374 726f 6b65 3d22 l=\"red\" stroke=\"\n-00013600: 7265 6422 2070 6f69 6e74 733d 2235 3331 red\" points=\"531\n-00013610: 2e32 352c 2d32 3431 2e31 3920 3532 362e .25,-241.19 526.\n-00013620: 3532 2c2d 3233 312e 3731 2035 3234 2e33 52,-231.71 524.3\n-00013630: 312c 2d32 3432 2e30 3720 3533 312e 3235 1,-242.07 531.25\n-00013640: 2c2d 3234 312e 3139 222f 3e0a 3c2f 673e ,-241.19\"/>.</g>\n-00013650: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00013660: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00013670: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00013680: 635f 6772 6f6d 6163 735f 6f70 7469 6f6e c_gromacs_option\n-00013690: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-000136a0: 6531 3139 2220 636c 6173 733d 2265 6467 e119\" class=\"edg\n-000136b0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000136c0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000136d0: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-000136e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6f le_src_gromacs_o\n-000136f0: 7074 696f 6e73 3c2f 7469 746c 653e 0a3c ptions.<\n-00013700: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00013710: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00013720: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00013730: 6179 3d22 352c 3222 2064 3d22 4d37 3739 ay=\"5,2\" d=\"M779\n-00013740: 2e37 312c 2d37 3732 2e34 3643 3739 352e .71,-772.46C795.\n-00013750: 3139 2c2d 3736 322e 3736 2038 3138 2e37 19,-762.76 818.7\n-00013760: 382c 2d37 3437 2e38 3320 3833 392c 2d37 8,-747.83 839,-7\n-00013770: 3334 2e34 3420 3839 342e 3737 2c2d 3639 34.44 894.77,-69\n-00013780: 372e 3520 3132 3732 2e31 352c 2d34 3136 7.5 1272.15,-416\n-00013790: 2e31 3420 3133 3335 2c2d 3339 332e 3232 .14 1335,-393.22\n-000137a0: 2031 3439 302e 3634 2c2d 3333 362e 3437 1490.64,-336.47\n-000137b0: 2031 3534 332e 3239 2c2d 3338 382e 3336 1543.29,-388.36\n-000137c0: 2031 3730 362c 2d33 3537 2e32 3220 3137 1706,-357.22 17\n-000137d0: 3038 2e36 332c 2d33 3536 2e37 3220 3137 08.63,-356.72 17\n-000137e0: 3131 2e33 332c 2d33 3536 2e31 3220 3137 11.33,-356.12 17\n-000137f0: 3134 2e30 332c 2d33 3535 2e34 3822 2f3e 14.03,-355.48\"/>\n-00013800: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_src_gr\n-000138f0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00013900: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013910: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib......mo\n-00013ae0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00013af0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-00013b00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013b10: 735f 696d 643c 2f74 6974 6c65 3e0a 3c70 s_imd...\n-00013c40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-00013e40: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-00013e50: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00013e60: 6f6d 6163 735f 7377 6170 3c2f 7469 746c omacs_swap..\n-00013ef0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n-00013fd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013fe0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00013ff0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00014000: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-00014010: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00014020: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00014030: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00014040: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00014050: 3d22 4d37 3432 2e38 372c 2d37 3733 2e35 =\"M742.87,-773.5\n-00014060: 3343 3732 352e 3131 2c2d 3736 342e 3738 3C725.11,-764.78\n-00014070: 2036 3939 2e30 322c 2d37 3530 2e36 3420 699.02,-750.64 \n-00014080: 3637 392c 2d37 3334 2e34 3420 3634 322e 679,-734.44 642.\n-00014090: 3437 2c2d 3730 342e 3837 2034 3234 2e38 47,-704.87 424.8\n-000140a0: 352c 2d34 3537 2e31 3920 3339 362c 2d34 5,-457.19 396,-4\n-000140b0: 3230 2e30 3920 3335 352e 3034 2c2d 3336 20.09 355.04,-36\n-000140c0: 372e 3432 2033 3435 2e31 372c 2d33 3533 7.42 345.17,-353\n-000140d0: 2e33 3420 3331 342c 2d32 3934 2e33 3520 .34 314,-294.35 \n-000140e0: 3236 392e 3235 2c2d 3230 392e 3637 2032 269.25,-209.67 2\n-000140f0: 3632 2e37 372c 2d31 3538 2e34 3920 3331 62.77,-158.49 31\n-00014100: 362c 2d37 382e 3837 2033 3235 2e32 332c 6,-78.87 325.23,\n-00014110: 2d36 352e 3037 2033 3339 2e38 322c 2d35 -65.07 339.82,-5\n-00014120: 332e 3932 2033 3533 2e31 322c 2d34 352e 3.92 353.12,-45.\n-00014130: 3831 222f 3e0a 3c70 6f6c 7967 6f6e 2066 81\"/>.<polygon f\n-00014140: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00014150: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00014160: 6f69 6e74 733d 2233 3535 2e31 312c 2d34 oints=\"355.11,-4\n-00014170: 382e 3720 3336 322e 3034 2c2d 3430 2e36 8.7 362.04,-40.6\n-00014180: 3920 3335 312e 3632 2c2d 3432 2e36 3320 9 351.62,-42.63 \n-00014190: 3335 352e 3131 2c2d 3438 2e37 222f 3e0a 355.11,-48.7\"/>.\n-000141a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-000141b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-000141c0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-000141d0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-000141e0: 7264 7761 7265 202d 2d3e 0a3c 6720 6964 rdware -->.<g id\n-000141f0: 3d22 6564 6765 3131 3222 2063 6c61 7373 =\"edge112\" class\n-00014200: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00012650: 3939 2220 636c 6173 733d 2265 6467 6522 99\" class=\"edge\"\n+00012660: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00012670: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n+00012680: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n+00012690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000126a0: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n+000126b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+00012910: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00012920: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00012930: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware......module_src_gro\n+00012b30: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+00012b40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00012b50: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib....<\n+00012c90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00012ca0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00012cb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012cc0: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00012cd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n+00012d00: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00012d10: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+00012d20: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00012d30: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......modu\n+00012eb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00012ec0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00012ed0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00012ee0: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+00012ef0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00012f00: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00012f10: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00012f20: 3d22 352c 3222 2064 3d22 4d31 3437 392e =\"5,2\" d=\"M1479.\n+00012f30: 352c 2d32 3136 2e34 3343 3133 3237 2e34 5,-216.43C1327.4\n+00012f40: 342c 2d32 3133 2e32 3820 3636 352e 3432 4,-213.28 665.42\n+00012f50: 2c2d 3139 372e 3939 2035 3738 2e35 362c ,-197.99 578.56,\n+00012f60: 2d31 3638 2e36 3120 3536 392e 3032 2c2d -168.61 569.02,-\n+00012f70: 3136 352e 3338 2035 3231 2e36 332c 2d31 165.38 521.63,-1\n+00012f80: 3331 2e37 3520 3439 322e 3235 2c2d 3131 31.75 492.25,-11\n+00012f90: 302e 3534 222f 3e0a 3c70 6f6c 7967 6f6e 0.54\"/>.....module_src_gr\n+00013080: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00013090: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000130a0: 726f 6d61 6373 5f72 6573 7472 6169 6e74 romacs_restraint\n+000130b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+00013250: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00013260: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00013270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013280: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00013290: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00013310: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 \n+00013380: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+00013400: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00013410: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00013420: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n+00013430: 7365 6e74 6961 6c64 796e 616d 6963 733c sentialdynamics<\n+00013440: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00013450: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00013460: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00013470: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00013480: 2220 643d 224d 3135 3232 2e35 362c 2d32 \" d=\"M1522.56,-2\n+00013490: 3035 2e36 3343 3135 3434 2e37 352c 2d31 05.63C1544.75,-1\n+000134a0: 3834 2e35 2031 3539 322e 3437 2c2d 3133 84.5 1592.47,-13\n+000134b0: 392e 3038 2031 3631 392e 3934 2c2d 3131 9.08 1619.94,-11\n+000134c0: 322e 3933 222f 3e0a 3c70 6f6c 7967 6f6e 2.93\"/>.<polygon\n+000134d0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+000134e0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+000134f0: 2070 6f69 6e74 733d 2231 3632 322e 3631 points=\"1622.61\n+00013500: 2c2d 3131 352e 3232 2031 3632 372e 3434 ,-115.22 1627.44\n+00013510: 2c2d 3130 352e 3739 2031 3631 372e 3738 ,-105.79 1617.78\n+00013520: 2c2d 3131 302e 3135 2031 3632 322e 3631 ,-110.15 1622.61\n+00013530: 2c2d 3131 352e 3232 222f 3e0a 3c2f 673e ,-115.22\"/>.</g>\n+00013540: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00013550: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00013560: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013570: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00013580: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->.<g id\n+00013590: 3d22 6564 6765 3131 3122 2063 6c61 7373 =\"edge111\" class\n+000135a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000135b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000135c0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+000135d0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000135e0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+000135f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+00013720: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00013730: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00013740: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00013750: 3135 3035 2e33 342c 2d36 3937 2e34 2031 1505.34,-697.4 1\n+00013760: 3530 372e 3938 2c2d 3730 372e 3635 2031 507.98,-707.65 1\n+00013770: 3531 322e 3331 2c2d 3639 372e 3939 2031 512.31,-697.99 1\n+00013780: 3530 352e 3334 2c2d 3639 372e 3422 2f3e 505.34,-697.4\"/>\n+00013790: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00013800: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013810: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+00013820: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00013830: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+00013840: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00013850: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00013860: 6663 6322 2064 3d22 4d31 3534 302e 3338 fcc\" d=\"M1540.38\n+00013870: 2c2d 3232 312e 3934 4331 3539 392e 3236 ,-221.94C1599.26\n+00013880: 2c2d 3232 382e 3436 2031 3733 332e 3439 ,-228.46 1733.49\n+00013890: 2c2d 3234 352e 3434 2031 3834 342e 3536 ,-245.44 1844.56\n+000138a0: 2c2d 3236 372e 3438 2031 3834 362e 3632 ,-267.48 1846.62\n+000138b0: 2c2d 3236 372e 3839 2031 3834 382e 3732 ,-267.89 1848.72\n+000138c0: 2c2d 3236 382e 3333 2031 3835 302e 3832 ,-268.33 1850.82\n+000138d0: 2c2d 3236 382e 3738 222f 3e0a 3c70 6f6c ,-268.78\"/>.<pol\n+000138e0: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n+000138f0: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n+00013900: 6663 6322 2070 6f69 6e74 733d 2231 3835 fcc\" points=\"185\n+00013910: 302e 3132 2c2d 3237 322e 3231 2031 3836 0.12,-272.21 186\n+00013920: 302e 3635 2c2d 3237 312e 3035 2031 3835 0.65,-271.05 185\n+00013930: 312e 3639 2c2d 3236 352e 3339 2031 3835 1.69,-265.39 185\n+00013940: 302e 3132 2c2d 3237 322e 3231 222f 3e0a 0.12,-272.21\"/>.\n+00013950: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00013960: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n+00013970: 6c69 6564 5f66 6f72 6365 7320 2d2d 3e0a lied_forces -->.\n+00013980: 3c67 2069 643d 226e 6f64 6532 3422 2063 <g id=\"node24\" c\n+00013990: 6c61 7373 3d22 6e6f 6465 223e 0a3c 7469 lass=\"node\">.<ti\n+000139a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000139b0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+000139c0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c65 orces..applied_forces<\n+00013a90: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>....mod\n+00013b10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013b20: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+00013b30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00013b40: 5f61 7070 6c69 6564 5f66 6f72 6365 733c _applied_forces<\n+00013b50: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00013b60: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00013b70: 3d22 7265 6422 2064 3d22 4d31 3438 302e =\"red\" d=\"M1480.\n+00013b80: 3334 2c2d 3231 342e 3431 4331 3339 372e 34,-214.41C1397.\n+00013b90: 3134 2c2d 3230 372e 3133 2031 3135 372e 14,-207.13 1157.\n+00013ba0: 3634 2c2d 3138 362e 3139 2039 3538 2e35 64,-186.19 958.5\n+00013bb0: 362c 2d31 3638 2e36 3120 3933 322e 3933 6,-168.61 932.93\n+00013bc0: 2c2d 3136 362e 3335 2039 3034 2e36 372c ,-166.35 904.67,\n+00013bd0: 2d31 3633 2e38 3420 3838 302e 3238 2c2d -163.84 880.28,-\n+00013be0: 3136 312e 3637 222f 3e0a 3c70 6f6c 7967 161.67\"/>.<polyg\n+00013bf0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n+00013c00: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n+00013c10: 733d 2238 3830 2e33 362c 2d31 3538 2e31 s=\"880.36,-158.1\n+00013c20: 3620 3837 302e 3039 2c2d 3136 302e 3737 6 870.09,-160.77\n+00013c30: 2038 3739 2e37 342c 2d31 3635 2e31 3420 879.74,-165.14 \n+00013c40: 3838 302e 3336 2c2d 3135 382e 3136 222f 880.36,-158.16\"/\n+00013c50: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00013c60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00013c70: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n+00013c80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013c90: 6c69 7374 6564 5f66 6f72 6365 7320 2d2d listed_forces --\n+00013ca0: 3e0a 3c67 2069 643d 2265 6467 6531 3039 >.<g id=\"edge109\n+00013cb0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00013cc0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00013cd0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+00013ce0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00013cf0: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00013d00: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n+00013d10: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gr\n+00013eb0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+00013ec0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013ed0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio....\n+00014020: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+00014090: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+000140a0: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+000140b0: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+000140c0: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat...\n+000141c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n 00014210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00014220: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n-00014230: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00014240: 6163 735f 6861 7264 7761 7265 3c2f 7469 acs_hardware</ti\n-00014250: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00014260: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00014270: 6266 6266 6266 2220 643d 224d 3733 382e bfbfbf\" d=\"M738.\n-00014280: 3035 2c2d 3737 352e 3438 4337 3135 2e33 05,-775.48C715.3\n-00014290: 392c 2d37 3637 2e38 3720 3638 312e 3935 9,-767.87 681.95\n-000142a0: 2c2d 3735 342e 3320 3635 382c 2d37 3334 ,-754.3 658,-734\n-000142b0: 2e34 3420 3630 352e 3139 2c2d 3639 302e .44 605.19,-690.\n-000142c0: 3636 2033 3230 2e38 382c 2d32 3936 2e38 66 320.88,-296.8\n-000142d0: 3220 3330 302c 2d32 3331 2e34 3820 3238 2 300,-231.48 28\n-000142e0: 372e 3836 2c2d 3139 332e 3439 2032 3830 7.86,-193.49 280\n-000142f0: 2e30 352c 2d31 3736 2e32 3820 3330 302c .05,-176.28 300,\n-00014300: 2d31 3431 2e37 3420 3330 392e 3935 2c2d -141.74 309.95,-\n-00014310: 3132 342e 3532 2033 3238 2e36 2c2d 3131 124.52 328.6,-11\n-00014320: 322e 3838 2033 3435 2e38 312c 2d31 3035 2.88 345.81,-105\n-00014330: 2e33 3422 2f3e 0a3c 706f 6c79 676f 6e20 .34\"/>.<polygon \n-00014340: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n-00014350: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n-00014360: 706f 696e 7473 3d22 3334 372e 3139 2c2d points=\"347.19,-\n-00014370: 3130 382e 3535 2033 3535 2e31 352c 2d31 108.55 355.15,-1\n-00014380: 3031 2e35 3620 3334 342e 3537 2c2d 3130 01.56 344.57,-10\n-00014390: 322e 3036 2033 3437 2e31 392c 2d31 3038 2.06 347.19,-108\n-000143a0: 2e35 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d .55\"/>.</g>.<!--\n-000143b0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n-000143c0: 6163 735f 6d69 6d69 6320 2d2d 3e0a 3c67 acs_mimic -->.<g\n-000143d0: 2069 643d 226e 6f64 6534 3222 2063 6c61 id=\"node42\" cla\n-000143e0: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n-000143f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00014400: 6d61 6373 5f6d 696d 6963 3c2f 7469 746c macs_mimic</titl\n-00014410: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n-00014420: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n-00014430: 653d 2262 6c61 636b 2220 6378 3d22 3439 e=\"black\" cx=\"49\n-00014440: 3422 2063 793d 222d 3732 312e 3031 2220 4\" cy=\"-721.01\" \n-00014450: 7278 3d22 3330 2e33 3122 2072 793d 2231 rx=\"30.31\" ry=\"1\n-00014460: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n-00014470: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n-00014480: 6522 2078 3d22 3439 3422 2079 3d22 2d37 e\" x=\"494\" y=\"-7\n-00014490: 3138 2e35 3122 2066 6f6e 742d 6661 6d69 18.51\" font-fami\n-000144a0: 6c79 3d22 4672 6565 5361 6e73 2220 666f ly=\"FreeSans\" fo\n-000144b0: 6e74 2d73 697a 653d 2231 302e 3030 223e nt-size=\"10.00\">\n-000144c0: 6d69 6d69 633c 2f74 6578 743e 0a3c 2f67 mimic</text>.</g\n-000144d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000144e0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-000144f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00014500: 7263 5f67 726f 6d61 6373 5f6d 696d 6963 rc_gromacs_mimic\n-00014510: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00014520: 3130 3622 2063 6c61 7373 3d22 6564 6765 106\" class=\"edge\n-00014530: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00014540: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00014550: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00014560: 655f 7372 635f 6772 6f6d 6163 735f 6d69 e_src_gromacs_mi\n-00014570: 6d69 633c 2f74 6974 6c65 3e0a 3c70 6174 mic.\n-000145e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..<\n-00014650: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-00014680: 0a3c 6720 6964 3d22 6e6f 6465 3434 2220 ..module_src_\n-000146b0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-000146c0: 696d 756c 6174 6f72 3c2f 7469 746c 653e imulator\n-000146d0: 0a3c 6720 6964 3d22 615f 6e6f 6465 3434 ...modularsimula\n-00014800: 746f 723c 2f74 6578 743e 0a3c 2f61 3e0a tor..\n-00014810: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ....mod\n-00014890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000148a0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-000148b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000148c0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-000148d0: 723c 2f74 6974 6c65 3e0a 3c70 6174 6820 r....\n-000149d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-00014a40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00014a50: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-00014a60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014a70: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n-00014a80: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00014a90: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00014aa0: 3238 3266 6363 2220 643d 224d 3738 372e 282fcc\" d=\"M787.\n-00014ab0: 3031 2c2d 3737 342e 3933 4338 3132 2e35 01,-774.93C812.5\n-00014ac0: 352c 2d37 3636 2e31 3620 3835 332e 3931 5,-766.16 853.91\n-00014ad0: 2c2d 3735 312e 3038 2038 3838 2c2d 3733 ,-751.08 888,-73\n-00014ae0: 342e 3434 2039 3038 2e39 332c 2d37 3234 4.44 908.93,-724\n-00014af0: 2e32 3320 3931 312e 3831 2c2d 3731 372e .23 911.81,-717.\n-00014b00: 3235 2039 3333 2c2d 3730 372e 3537 2039 25 933,-707.57 9\n-00014b10: 3739 2e34 2c2d 3638 362e 3337 2039 3936 79.4,-686.37 996\n-00014b20: 2e35 312c 2d36 3934 2e36 3620 3130 3432 .51,-694.66 1042\n-00014b30: 2c2d 3637 312e 3537 2031 3138 302e 3135 ,-671.57 1180.15\n-00014b40: 2c2d 3630 312e 3435 2031 3137 332e 3836 ,-601.45 1173.86\n-00014b50: 2c2d 3531 372e 3732 2031 3331 362c 2d34 ,-517.72 1316,-4\n-00014b60: 3536 2e30 3920 3134 3238 2e32 382c 2d34 56.09 1428.28,-4\n-00014b70: 3037 2e34 3120 3134 3637 2e38 342c 2d34 07.41 1467.84,-4\n-00014b80: 3337 2e33 3820 3135 3839 2c2d 3432 302e 37.38 1589,-420.\n-00014b90: 3039 2031 3539 382e 312c 2d34 3138 2e37 09 1598.1,-418.7\n-00014ba0: 3920 3136 3037 2e37 372c 2d34 3137 2e33 9 1607.77,-417.3\n-00014bb0: 3620 3136 3137 2e31 342c 2d34 3135 2e39 6 1617.14,-415.9\n-00014bc0: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n-00014bd0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-00014be0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-00014bf0: 696e 7473 3d22 3136 3137 2e37 392c 2d34 ints=\"1617.79,-4\n-00014c00: 3139 2e33 3820 3136 3237 2e31 352c 2d34 19.38 1627.15,-4\n-00014c10: 3134 2e34 3120 3136 3136 2e37 332c 2d34 14.41 1616.73,-4\n-00014c20: 3132 2e34 3620 3136 3137 2e37 392c 2d34 12.46 1617.79,-4\n-00014c30: 3139 2e33 3822 2f3e 0a3c 2f67 3e0a 3c21 19.38\"/>.</g>.<!\n-00014c40: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-00014c50: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00014c60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00014c70: 726f 6d61 6373 5f6e 626e 786d 202d 2d3e romacs_nbnxm -->\n-00014c80: 0a3c 6720 6964 3d22 6564 6765 3131 3422 .<g id=\"edge114\"\n-00014c90: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00014ca0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00014cb0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n-00014cc0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00014cd0: 635f 6772 6f6d 6163 735f 6e62 6e78 6d3c c_gromacs_nbnxm<\n-00014ce0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00014cf0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00014d00: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00014d10: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00014d20: 2220 643d 224d 3733 342e 3333 2c2d 3737 \" d=\"M734.33,-77\n-00014d30: 382e 3443 3730 332e 3336 2c2d 3737 322e 8.4C703.36,-772.\n-00014d40: 3436 2036 3533 2e36 352c 2d37 3539 2e36 46 653.65,-759.6\n-00014d50: 3420 3631 382c 2d37 3334 2e34 3420 3537 4 618,-734.44 57\n-00014d60: 362e 372c 2d37 3035 2e32 3420 3538 342e 6.7,-705.24 584.\n-00014d70: 3839 2c2d 3637 392e 3331 2035 3438 2c2d 89,-679.31 548,-\n-00014d80: 3634 342e 3720 3533 342e 372c 2d36 3332 644.7 534.7,-632\n-00014d90: 2e32 3220 3531 372e 3931 2c2d 3632 302e .22 517.91,-620.\n-00014da0: 3632 2035 3034 2c2d 3631 312e 3922 2f3e 62 504,-611.9\"/>\n-00014db0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-00014dc0: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n-00014dd0: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n-00014de0: 3d22 3530 352e 372c 2d36 3038 2e38 3320 =\"505.7,-608.83 \n-00014df0: 3439 352e 3334 2c2d 3630 362e 3620 3530 495.34,-606.6 50\n-00014e00: 322e 3035 2c2d 3631 342e 3831 2035 3035 2.05,-614.81 505\n-00014e10: 2e37 2c2d 3630 382e 3833 222f 3e0a 3c2f .7,-608.83\"/>.</\n-00014e20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00014e30: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-00014e40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00014e50: 7372 635f 6772 6f6d 6163 735f 6577 616c src_gromacs_ewal\n-00014e60: 6420 2d2d 3e0a 3c67 2069 643d 2265 6467 d -->.<g id=\"edg\n-00014e70: 6539 3922 2063 6c61 7373 3d22 6564 6765 e99\" class=\"edge\n-00014e80: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00014e90: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00014ea0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-00014eb0: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n-00014ec0: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald...\n-00014fc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-00015030: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015040: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-00015050: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00015060: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-00015070: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00015080: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-00015090: 2220 643d 224d 3736 372e 3934 2c2d 3739 \" d=\"M767.94,-79\n-000150a0: 372e 3439 4337 3739 2e33 362c 2d38 3234 7.49C779.36,-824\n-000150b0: 2e39 3120 3831 302e 3331 2c2d 3839 302e .91 810.31,-890.\n-000150c0: 3137 2038 3538 2c2d 3932 332e 3035 2039 17 858,-923.05 9\n-000150d0: 3033 2e31 362c 2d39 3534 2e31 3920 3936 03.16,-954.19 96\n-000150e0: 362e 3137 2c2d 3936 352e 3339 2031 3030 6.17,-965.39 100\n-000150f0: 392e 312c 2d39 3639 2e33 3722 2f3e 0a3c 9.1,-969.37\"/>.<\n-00015100: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00015110: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00015120: 706f 696e 7473 3d22 3130 3039 2e30 342c points=\"1009.04,\n-00015130: 2d39 3732 2e38 3820 3130 3139 2e32 392c -972.88 1019.29,\n-00015140: 2d39 3730 2e32 3220 3130 3039 2e36 322c -970.22 1009.62,\n-00015150: 2d39 3635 2e39 2031 3030 392e 3034 2c2d -965.9 1009.04,-\n-00015160: 3937 322e 3838 222f 3e0a 3c2f 673e 0a3c 972.88\"/>.</g>.<\n-00015170: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00015180: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-00015190: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000151a0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-000151b0: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n-000151c0: 6720 6964 3d22 6564 6765 3935 2220 636c g id=\"edge95\" cl\n-000151d0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-000151e0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-000151f0: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-00015200: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00015210: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00015220: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh</title\n-00015230: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00015240: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00015250: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00015260: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00015270: 3739 322e 3732 2c2d 3738 382e 3435 4339 792.72,-788.45C9\n-00015280: 3430 2e32 322c 2d38 3036 2e32 3120 3135 40.22,-806.21 15\n-00015290: 3933 2e31 322c 2d38 3834 2e38 2031 3735 93.12,-884.8 175\n-000152a0: 342e 3733 2c2d 3930 342e 3235 222f 3e0a 4.73,-904.25\"/>.\n-000152b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-000152c0: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-000152d0: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-000152e0: 2231 3735 342e 3733 2c2d 3930 372e 3737 \"1754.73,-907.77\n-000152f0: 2031 3736 352e 3037 2c2d 3930 352e 3520 1765.07,-905.5 \n-00015300: 3137 3535 2e35 362c 2d39 3030 2e38 3320 1755.56,-900.83 \n-00015310: 3137 3534 2e37 332c 2d39 3037 2e37 3722 1754.73,-907.77\"\n-00015320: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-00015330: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00015340: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-00015350: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00015360: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n-00015370: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00015380: 3238 2220 636c 6173 733d 2265 6467 6522 28\" class=\"edge\"\n-00015390: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-000153a0: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-000153b0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n-000153c0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000153d0: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n-000153e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000153f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00015400: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-00015410: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-00015420: 224d 3132 3738 2e38 362c 2d37 3334 2e36 \"M1278.86,-734.6\n-00015430: 3143 3132 3939 2e31 382c 2d37 3830 2e33 1C1299.18,-780.3\n-00015440: 3420 3133 3632 2e32 312c 2d39 3430 2e35 4 1362.21,-940.5\n-00015450: 3320 3133 3032 2c2d 3130 3438 2e37 3920 3 1302,-1048.79 \n-00015460: 3132 3932 2e32 322c 2d31 3036 362e 3338 1292.22,-1066.38\n-00015470: 2031 3237 332e 3132 2c2d 3130 3738 2e33 1273.12,-1078.3\n-00015480: 3920 3132 3536 2e32 372c 2d31 3038 362e 9 1256.27,-1086.\n-00015490: 3036 222f 3e0a 3c70 6f6c 7967 6f6e 2066 06\"/>.<polygon f\n-000154a0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-000154b0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-000154c0: 6f69 6e74 733d 2231 3235 342e 3536 2c2d oints=\"1254.56,-\n-000154d0: 3130 3832 2e39 3820 3132 3436 2e37 2c2d 1082.98 1246.7,-\n-000154e0: 3130 3930 2e30 3820 3132 3537 2e32 372c 1090.08 1257.27,\n-000154f0: 2d31 3038 392e 3434 2031 3235 342e 3536 -1089.44 1254.56\n-00015500: 2c2d 3130 3832 2e39 3822 2f3e 0a3c 2f67 ,-1082.98\"/>.</g\n-00015510: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00015520: 635f 6772 6f6d 6163 735f 6170 706c 6965 c_gromacs_applie\n-00015530: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-00015540: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00015550: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00015560: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00015570: 6531 3239 2220 636c 6173 733d 2265 6467 e129\" class=\"edg\n-00015580: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00015590: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-000155a0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-000155b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000155c0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-000155d0: 6f63 6573 733c 2f74 6974 6c65 3e0a 3c70 ocess..\n-00015790: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...\n-00015a10: 3c67 2069 643d 2265 6467 6531 3330 2220 .module_src_\n-00015a40: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-00015a50: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-00015a60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015a70: 735f 6d64 7370 616e 3c2f 7469 746c 653e s_mdspan\n-00015a80: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n-00015c80: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-00015c90: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00015ca0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00015cb0: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility..\n-00015d70: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n-00015e60: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00015e70: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00015e80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00015e90: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec</\n-00015ea0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00015eb0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00015ec0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00015ed0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00015ee0: 2064 3d22 4d31 3235 312e 3138 2c2d 3730 d=\"M1251.18,-70\n-00015ef0: 382e 3437 4331 3139 302e 3137 2c2d 3637 8.47C1190.17,-67\n-00015f00: 362e 3232 2031 3031 372e 3734 2c2d 3538 6.22 1017.74,-58\n-00015f10: 352e 3037 2039 3438 2e39 312c 2d35 3438 5.07 948.91,-548\n-00015f20: 2e36 3822 2f3e 0a3c 706f 6c79 676f 6e20 .68\"/>.<polygon \n-00015f30: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n-00015f40: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n-00015f50: 706f 696e 7473 3d22 3935 302e 3338 2c2d points=\"950.38,-\n-00015f60: 3534 352e 3520 3933 392e 392c 2d35 3433 545.5 939.9,-543\n-00015f70: 2e39 3220 3934 372e 3131 2c2d 3535 312e .92 947.11,-551.\n-00015f80: 3639 2039 3530 2e33 382c 2d35 3435 2e35 69 950.38,-545.5\n-00015f90: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-00015fa0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015fb0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-00015fc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00015fd0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00015fe0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n-00015ff0: 6531 3231 2220 636c 6173 733d 2265 6467 e121\" class=\"edg\n-00016000: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00016010: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-00016020: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-00016030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00016040: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n-00016050: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00016060: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00016070: 2223 6266 6266 6266 2220 643d 224d 3132 \"#bfbfbf\" d=\"M12\n-00016080: 3931 2e30 372c 2d37 3037 2e39 3543 3133 91.07,-707.95C13\n-00016090: 3032 2e32 392c 2d36 3939 2e33 3120 3133 02.29,-699.31 13\n-000160a0: 3135 2e37 332c 2d36 3836 2e35 3820 3133 15.73,-686.58 13\n-000160b0: 3232 2c2d 3637 312e 3537 2031 3333 372e 22,-671.57 1337.\n-000160c0: 3337 2c2d 3633 342e 3737 2031 3333 332e 37,-634.77 1333.\n-000160d0: 3037 2c2d 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2d33 342e 3337 222f 3e0a 3c2f 673e 0a3c -34.37\"/>.</g>.<\n+000148d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000148e0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000148f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014900: 6772 6f6d 6163 735f 696d 6420 2d2d 3e0a gromacs_imd -->.\n+00014910: 3c67 2069 643d 2265 6467 6531 3230 2220 <g id=\"edge120\" \n+00014920: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00014930: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00014940: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00014950: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014960: 5f67 726f 6d61 6373 5f69 6d64 3c2f 7469 _gromacs_imd</ti\n+00014970: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00014980: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00014990: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+000149a0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+000149b0: 3d22 4d31 3437 392e 3536 2c2d 3231 362e =\"M1479.56,-216.\n+000149c0: 3443 3134 3032 2e36 352c 2d32 3134 2e32 4C1402.65,-214.2\n+000149d0: 3620 3131 3937 2e32 332c 2d32 3035 2e32 6 1197.23,-205.2\n+000149e0: 3820 3130 3330 2e35 362c 2d31 3638 2e36 8 1030.56,-168.6\n+000149f0: 3120 3130 3238 2e36 322c 2d31 3638 2e31 1 1028.62,-168.1\n+00014a00: 3820 3130 3236 2e36 342c 2d31 3637 2e36 8 1026.64,-167.6\n+00014a10: 3920 3130 3234 2e36 362c 2d31 3637 2e31 9 1024.66,-167.1\n+00014a20: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+00014a30: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00014a40: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00014a50: 696e 7473 3d22 3130 3235 2e34 372c 2d31 ints=\"1025.47,-1\n+00014a60: 3633 2e37 3320 3130 3134 2e38 382c 2d31 63.73 1014.88,-1\n+00014a70: 3634 2e31 3120 3130 3233 2e34 2c2d 3137 64.11 1023.4,-17\n+00014a80: 302e 3431 2031 3032 352e 3437 2c2d 3136 0.41 1025.47,-16\n+00014a90: 332e 3733 222f 3e0a 3c2f 673e 0a3c 212d 3.73\"/>.</g>.<!-\n+00014aa0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00014ab0: 6d61 6373 5f73 7761 7020 2d2d 3e0a 3c67 macs_swap -->.<g\n+00014ac0: 2069 643d 226e 6f64 6533 3622 2063 6c61 id=\"node36\" cla\n+00014ad0: 7373 3d22 6e6f 6465 223e 0a3c 7469 746c ss=\"node\">.<titl\n+00014ae0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00014af0: 6d61 6373 5f73 7761 703c 2f74 6974 6c65 macs_swap</title\n+00014b00: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533 >.<g id=\"a_node3\n+00014b10: 3622 3e3c 6120 786c 696e 6b3a 6872 6566 6\"><a xlink:href\n+00014b20: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n+00014b30: 5f73 7761 702e 7868 746d 6c22 2074 6172 _swap.xhtml\" tar\n+00014b40: 6765 743d 225f 746f 7022 2078 6c69 6e6b get=\"_top\" xlink\n+00014b50: 3a74 6974 6c65 3d22 7377 6170 223e 0a3c :title=\"swap\">.<\n+00014b60: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+00014b70: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n+00014b80: 6c61 636b 2220 6378 3d22 3232 3334 2e35 lack\" cx=\"2234.5\n+00014b90: 3622 2063 793d 222d 3135 352e 3138 2220 6\" cy=\"-155.18\" \n+00014ba0: 7278 3d22 3237 2e36 3522 2072 793d 2231 rx=\"27.65\" ry=\"1\n+00014bb0: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.<text te\n+00014bc0: 7874 2d61 6e63 686f 723d 226d 6964 646c xt-anchor=\"middl\n+00014bd0: 6522 2078 3d22 3232 3334 2e35 3622 2079 e\" x=\"2234.56\" y\n+00014be0: 3d22 2d31 3532 2e36 3822 2066 6f6e 742d =\"-152.68\" font-\n+00014bf0: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n+00014c00: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n+00014c10: 3030 223e 7377 6170 3c2f 7465 7874 3e0a 00\">swap</text>.\n+00014c20: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c </a>.</g>.</g>.<\n+00014c30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014c40: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00014c50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00014c60: 6772 6f6d 6163 735f 7377 6170 202d 2d3e gromacs_swap -->\n+00014c70: 0a3c 6720 6964 3d22 6564 6765 3131 3722 .<g id=\"edge117\"\n+00014c80: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00014c90: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014ca0: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00014cb0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00014cc0: 635f 6772 6f6d 6163 735f 7377 6170 3c2f c_gromacs_swap</\n+00014cd0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00014ce0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00014cf0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00014d00: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00014d10: 2064 3d22 4d31 3534 302e 3735 2c2d 3231 d=\"M1540.75,-21\n+00014d20: 342e 3531 4331 3635 362e 3334 2c2d 3230 4.51C1656.34,-20\n+00014d30: 342e 3739 2032 3037 302e 3634 2c2d 3136 4.79 2070.64,-16\n+00014d40: 392e 3936 2032 3139 372e 3433 2c2d 3135 9.96 2197.43,-15\n+00014d50: 392e 3322 2f3e 0a3c 706f 6c79 676f 6e20 9.3\"/>.<polygon \n+00014d60: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00014d70: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00014d80: 706f 696e 7473 3d22 3231 3938 2e30 392c points=\"2198.09,\n+00014d90: 2d31 3632 2e37 3520 3232 3037 2e37 372c -162.75 2207.77,\n+00014da0: 2d31 3538 2e34 3320 3231 3937 2e35 312c -158.43 2197.51,\n+00014db0: 2d31 3535 2e37 3820 3231 3938 2e30 392c -155.78 2198.09,\n+00014dc0: 2d31 3632 2e37 3522 2f3e 0a3c 2f67 3e0a -162.75\"/>.</g>.\n+00014dd0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00014de0: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00014df0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00014e00: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n+00014e10: 2d3e 0a3c 6720 6964 3d22 6564 6765 3132 ->.<g id=\"edge12\n+00014e20: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n+00014e30: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00014e40: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00014e50: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014e60: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+00014e70: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m...<\n+00014fa0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module\n+00014ff0: 5f73 7263 5f67 726f 6d61 6373 5f6d 696d _src_gromacs_mim\n+00015000: 6963 3c2f 7469 746c 653e 0a3c 656c 6c69 ic..\n+000150c0: 6d69 6d69 633c 2f74 6578 743e 0a3c 2f67 mimic....module\n+00015140: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00015150: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00015160: 655f 7372 635f 6772 6f6d 6163 735f 6d69 e_src_gromacs_mi\n+00015170: 6d69 633c 2f74 6974 6c65 3e0a 3c70 6174 mic.....<\n+000152a0: 6720 6964 3d22 6564 6765 3130 3822 2063 g id=\"edge108\" c\n+000152b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000152d0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000152e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000152f0: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+00015300: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n+00015490: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+00015500: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015510: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+00015520: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015530: 735f 636f 6d6d 616e 646c 696e 653c 2f74 s_commandline</t\n+00015540: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00015550: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00015560: 2332 3832 6663 6322 2064 3d22 4d31 3438 #282fcc\" d=\"M148\n+00015570: 322e 362c 2d32 3234 2e32 3743 3134 3536 2.6,-224.27C1456\n+00015580: 2e35 322c 2d32 3330 2e34 3720 3134 3138 .52,-230.47 1418\n+00015590: 2e30 372c 2d32 3433 2e31 3820 3133 3933 .07,-243.18 1393\n+000155a0: 2e35 362c 2d32 3637 2e34 3820 3132 3836 .56,-267.48 1286\n+000155b0: 2e30 312c 2d33 3734 2e31 2031 3235 392e .01,-374.1 1259.\n+000155c0: 3333 2c2d 3536 382e 3535 2031 3235 332e 33,-568.55 1253.\n+000155d0: 3234 2c2d 3633 342e 3534 222f 3e0a 3c70 24,-634.54\"/>.<p\n+000155e0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+000155f0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00015600: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00015610: 3234 392e 3734 2c2d 3633 342e 3420 3132 249.74,-634.4 12\n+00015620: 3532 2e33 372c 2d36 3434 2e36 3620 3132 52.37,-644.66 12\n+00015630: 3536 2e37 312c 2d36 3334 2e39 3920 3132 56.71,-634.99 12\n+00015640: 3439 2e37 342c 2d36 3334 2e34 222f 3e0a 49.74,-634.4\"/>.\n+00015650: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00015660: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+00015670: 756c 6172 7369 6d75 6c61 746f 7220 2d2d ularsimulator --\n+00015680: 3e0a 3c67 2069 643d 226e 6f64 6534 3722 >.<g id=\"node47\"\n+00015690: 2063 6c61 7373 3d22 6e6f 6465 223e 0a3c class=\"node\">.<\n+000156a0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000156b0: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+000156c0: 7369 6d75 6c61 746f 723c 2f74 6974 6c65 simulator</title\n+000156d0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6534 >.<g id=\"a_node4\n+000156e0: 3722 3e3c 6120 786c 696e 6b3a 6872 6566 7\"><a xlink:href\n+000156f0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n+00015700: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00015710: 722e 7868 746d 6c22 2074 6172 6765 743d r.xhtml\" target=\n+00015720: 225f 746f 7022 2078 6c69 6e6b 3a74 6974 \"_top\" xlink:tit\n+00015730: 6c65 3d22 6d6f 6475 6c61 7273 696d 756c le=\"modularsimul\n+00015740: 6174 6f72 223e 0a3c 656c 6c69 7073 6520 ator\">.<ellipse \n+00015750: 6669 6c6c 3d22 2365 3563 6366 6622 2073 fill=\"#e5ccff\" s\n+00015760: 7472 6f6b 653d 2262 6c61 636b 2220 6378 troke=\"black\" cx\n+00015770: 3d22 3135 3136 2e35 3622 2063 793d 222d =\"1516.56\" cy=\"-\n+00015780: 3533 322e 3422 2072 783d 2236 352e 3131 532.4\" rx=\"65.11\n+00015790: 2220 7279 3d22 3133 2e33 3722 2f3e 0a3c \" ry=\"13.37\"/>.<\n+000157a0: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+000157b0: 3d22 6d69 6464 6c65 2220 783d 2231 3531 =\"middle\" x=\"151\n+000157c0: 362e 3536 2220 793d 222d 3532 392e 3922 6.56\" y=\"-529.9\"\n+000157d0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+000157e0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+000157f0: 653d 2231 302e 3030 223e 6d6f 6475 6c61 e=\"10.00\">modula\n+00015800: 7273 696d 756c 6174 6f72 3c2f 7465 7874 rsimulator</text\n+00015810: 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e >.</a>.</g>.</g>\n+00015820: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00015830: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+00015840: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00015850: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+00015860: 7273 696d 756c 6174 6f72 202d 2d3e 0a3c rsimulator -->.<\n+00015870: 6720 6964 3d22 6564 6765 3131 3522 2063 g id=\"edge115\" c\n+00015880: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00015890: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+000158a0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+000158b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000158c0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+000158d0: 696d 756c 6174 6f72 3c2f 7469 746c 653e imulator\n+000158e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00015a10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .<\n+00015c40: 6720 6964 3d22 6564 6765 3130 3222 2063 g id=\"edge102\" c\n+00015c50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00015c70: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00015c80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00015c90: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00015ca0: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh.\n+00015d90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00015e00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00016170: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016180: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00016190: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000161a0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000161b0: 7072 6570 726f 6365 7373 3c2f 7469 746c preprocess</titl\n+000161c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000161d0: 6f6e 6522 2073 7472 6f6b 653d 2223 3263 one\" stroke=\"#2c\n+000161e0: 6363 3238 2220 7374 726f 6b65 2d64 6173 cc28\" stroke-das\n+000161f0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00016200: 4d38 3639 2e37 332c 2d31 3631 2e30 3643 M869.73,-161.06C\n+00016210: 3839 362e 3233 2c2d 3136 332e 3531 2039 896.23,-163.51 9\n+00016220: 3239 2e31 322c 2d31 3636 2e34 3120 3935 29.12,-166.41 95\n+00016230: 382e 3536 2c2d 3136 382e 3631 2031 3131 8.56,-168.61 111\n+00016240: 342e 3439 2c2d 3138 302e 3237 2032 3235 4.49,-180.27 225\n+00016250: 352e 3033 2c2d 3231 312e 3433 2032 3335 5.03,-211.43 235\n+00016260: 362e 3536 2c2d 3333 302e 3335 2032 3437 6.56,-330.35 247\n+00016270: 392e 3134 2c2d 3437 332e 3933 2032 3234 9.14,-473.93 224\n+00016280: 312c 2d35 3432 2e31 3420 3231 3033 2e35 1,-542.14 2103.5\n+00016290: 362c 2d36 3731 2e35 3720 3139 3930 2c2d 6,-671.57 1990,-\n+000162a0: 3737 382e 3532 2031 3935 322e 3035 2c2d 778.52 1952.05,-\n+000162b0: 3830 312e 3338 2031 3830 372e 3536 2c2d 801.38 1807.56,-\n+000162c0: 3836 302e 3138 2031 3735 352e 322c 2d38 860.18 1755.2,-8\n+000162d0: 3831 2e34 3920 3137 3336 2e30 382c 2d38 81.49 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5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n+000163d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000163e0: 6d61 6373 5f6d 6474 7970 6573 202d 2d3e macs_mdtypes -->\n+000163f0: 0a3c 6720 6964 3d22 6564 6765 3132 3922 .<g id=\"edge129\"\n+00016400: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00016410: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00016420: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00016430: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n+00016440: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016450: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00016460: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00016470: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00016480: 6266 6266 2220 643d 224d 3831 332e 3035 bfbf\" d=\"M813.05\n+00016490: 2c2d 3136 382e 3643 3737 392e 3032 2c2d ,-168.6C779.02,-\n+000164a0: 3234 362e 3233 2036 3032 2e30 312c 2d36 246.23 602.01,-6\n+000164b0: 3633 2e35 3520 3639 372e 3536 2c2d 3733 63.55 697.56,-73\n+000164c0: 342e 3434 2037 3733 2e38 362c 2d37 3931 4.44 773.86,-791\n+000164d0: 2e30 3520 3130 3431 2e31 382c 2d37 3233 .05 1041.18,-723\n+000164e0: 2e31 3120 3131 3233 2e35 362c 2d37 3730 .11 1123.56,-770\n+000164f0: 2e34 3420 3131 3238 2e38 342c 2d37 3733 .44 1128.84,-773\n+00016500: 2e34 3820 3131 3831 2e32 372c 2d38 3537 .48 1181.27,-857\n+00016510: 2e31 3620 3131 3836 2e35 362c 2d38 3630 .16 1186.56,-860\n+00016520: 2e31 3820 3132 3335 2e30 322c 2d38 3837 .18 1235.02,-887\n+00016530: 2e38 3620 3136 3134 2e33 362c 2d39 3032 .86 1614.36,-902\n+00016540: 2e37 2031 3734 392e 3735 2c2d 3930 372e .7 1749.75,-907.\n+00016550: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066 16\"/>.<polygon f\n+00016560: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00016570: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00016580: 6f69 6e74 733d 2231 3734 392e 3732 2c2d oints=\"1749.72,-\n+00016590: 3931 302e 3636 2031 3735 392e 3832 2c2d 910.66 1759.82,-\n+000165a0: 3930 372e 3438 2031 3734 392e 3934 2c2d 907.48 1749.94,-\n+000165b0: 3930 332e 3636 2031 3734 392e 3732 2c2d 903.66 1749.72,-\n+000165c0: 3931 302e 3636 222f 3e0a 3c2f 673e 0a3c 910.66\"/>.</g>.<\n+000165d0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000165e0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+000165f0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00016600: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016610: 5f72 616e 646f 6d20 2d2d 3e0a 3c67 2069 _random -->.<g i\n+00016620: 643d 2265 6467 6531 3333 2220 636c 6173 d=\"edge133\" clas\n+00016630: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016640: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016650: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00016660: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00016670: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+00016680: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom..\n+00016770: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+000169a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+000169b0: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+000169c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000169d0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+000169e0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility.....<\n+00016bc0: 6720 6964 3d22 6564 6765 3133 3122 2063 g id=\"edge131\" c\n+00016bd0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00016bf0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00016c00: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00016c10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016c20: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n+00016c30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00016cb0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n+00016da0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00016db0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+00016dc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016dd0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+00016de0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00016df0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00016e00: 2223 6266 6266 6266 2220 643d 224d 3831 \"#bfbfbf\" d=\"M81\n+00016e10: 382e 3536 2c2d 3136 382e 3832 4338 3138 8.56,-168.82C818\n+00016e20: 2e35 362c 2d31 3931 2e32 3220 3831 382e .56,-191.22 818.\n+00016e30: 3536 2c2d 3233 392e 3331 2038 3138 2e35 56,-239.31 818.5\n+00016e40: 362c 2d32 3739 2e39 3220 3831 382e 3536 6,-279.92 818.56\n+00016e50: 2c2d 3437 302e 3533 2038 3138 2e35 362c ,-470.53 818.56,\n+00016e60: 2d34 3730 2e35 3320 3831 382e 3536 2c2d -470.53 818.56,-\n+00016e70: 3437 302e 3533 2038 3138 2e35 362c 2d35 470.53 818.56,-5\n+00016e80: 3238 2e34 3920 3838 362e 3736 2c2d 3536 28.49 886.76,-56\n+00016e90: 352e 3832 2039 3237 2e39 362c 2d35 3833 5.82 927.96,-583\n+00016ea0: 2e30 3822 2f3e 0a3c 706f 6c79 676f 6e20 .08\"/>.<polygon \n+00016eb0: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+00016ec0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+00016ed0: 706f 696e 7473 3d22 3932 362e 3731 2c2d points=\"926.71,-\n+00016ee0: 3538 362e 3335 2039 3337 2e33 2c2d 3538 586.35 937.3,-58\n+00016ef0: 362e 3835 2039 3239 2e33 332c 2d35 3739 6.85 929.33,-579\n+00016f00: 2e38 3620 3932 362e 3731 2c2d 3538 362e .86 926.71,-586.\n+00016f10: 3335 222f 3e0a 3c2f 673e 0a3c 212d 2d20 35\"/>.</g>.<!-- \n+00016f20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00016f30: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00016f40: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00016f50: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+00016f60: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22 ions -->.<g id=\"\n+00016f70: 6564 6765 3133 3022 2063 6c61 7373 3d22 edge130\" class=\"\n+00016f80: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00016f90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016fa0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+00016fb0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00016fc0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00016fd0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns.....\n+00017140: 3c67 2069 643d 2265 6467 6531 3334 2220 .module_src_\n+00017170: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+00017180: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00017190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000171a0: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+000171b0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00017240: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n+000172b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modu\n+00017330: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00017340: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00017350: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017360: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+00017370: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line......modu\n+00017510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00017520: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+00017530: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017540: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n+00017550: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00017560: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00017570: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00017580: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00017590: 2064 3d22 4d38 3632 2e31 392c 2d31 3633 d=\"M862.19,-163\n+000175a0: 2e37 3943 3130 3436 2e34 362c 2d31 3935 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6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00017a40: 6373 5f74 6f70 6f6c 6f67 7926 2334 353b cs_topology-\n+00017a50: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017a60: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n 00017a70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n 00017a80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n 00017a90: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n 00017aa0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00017ab0: 2064 3d22 4d31 3437 352e 3936 2c2d 3435 d=\"M1475.96,-45\n-00017ac0: 362e 3231 4331 3438 352e 362c 2d34 3437 6.21C1485.6,-447\n-00017ad0: 2e37 3120 3134 3938 2e35 392c 2d34 3336 .71 1498.59,-436\n-00017ae0: 2e32 3520 3135 3039 2e35 332c 2d34 3236 .25 1509.53,-426\n-00017af0: 2e36 222f 3e0a 3c70 6f6c 7967 6f6e 2066 .6\"/>.<polygon f\n-00017b00: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-00017b10: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-00017b20: 6f69 6e74 733d 2231 3531 312e 3837 2c2d oints=\"1511.87,-\n-00017b30: 3432 392e 3220 3135 3137 2e30 362c 2d34 429.2 1517.06,-4\n-00017b40: 3139 2e39 3620 3135 3037 2e32 342c 2d34 19.96 1507.24,-4\n-00017b50: 3233 2e39 3520 3135 3131 2e38 372c 2d34 23.95 1511.87,-4\n-00017b60: 3239 2e32 222f 3e0a 3c2f 673e 0a3c 212d 29.2\"/>.</g>.<!-\n+00017ab0: 2064 3d22 4d32 3030 372e 3235 2c2d 3936 d=\"M2007.25,-96\n+00017ac0: 342e 3032 4331 3936 342e 3433 2c2d 3935 4.02C1964.43,-95\n+00017ad0: 332e 3132 2031 3838 342e 3636 2c2d 3933 3.12 1884.66,-93\n+00017ae0: 322e 3820 3138 3336 2e38 312c 2d39 3230 2.8 1836.81,-920\n+00017af0: 2e36 3122 2f3e 0a3c 706f 6c79 676f 6e20 .61\"/>.<polygon \n+00017b00: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00017b10: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00017b20: 706f 696e 7473 3d22 3138 3337 2e36 362c points=\"1837.66,\n+00017b30: 2d39 3137 2e32 3220 3138 3237 2e31 312c -917.22 1827.11,\n+00017b40: 2d39 3138 2e31 3420 3138 3335 2e39 332c -918.14 1835.93,\n+00017b50: 2d39 3234 2031 3833 372e 3636 2c2d 3931 -924 1837.66,-91\n+00017b60: 372e 3232 222f 3e0a 3c2f 673e 0a3c 212d 7.22\"/>.</g>.<!-\n 00017b70: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n 00017b80: 6d61 6373 5f74 7261 6a65 6374 6f72 7961 macs_trajectorya\n-00017b90: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n-00017ba0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00017bb0: 6373 5f61 6e61 6c79 7369 7364 6174 6120 cs_analysisdata \n-00017bc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00017bd0: 3334 2220 636c 6173 733d 2265 6467 6522 34\" class=\"edge\"\n-00017be0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00017bf0: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n-00017c00: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n-00017c10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00017c20: 635f 6772 6f6d 6163 735f 616e 616c 7973 c_gromacs_analys\n-00017c30: 6973 6461 7461 3c2f 7469 746c 653e 0a3c isdata.<\n-00017c40: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017c50: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00017c60: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00017c70: 6179 3d22 352c 3222 2064 3d22 4d31 3434 ay=\"5,2\" d=\"M144\n-00017c80: 382e 3234 2c2d 3435 362e 3231 4331 3433 8.24,-456.21C143\n-00017c90: 382e 3834 2c2d 3434 372e 3739 2031 3432 8.84,-447.79 142\n-00017ca0: 362e 3139 2c2d 3433 362e 3437 2031 3431 6.19,-436.47 141\n-00017cb0: 352e 3437 2c2d 3432 362e 3838 222f 3e0a 5.47,-426.88\"/>.\n-00017cc0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....m\n-00017db0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00017dc0: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n-00017dd0: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-00017de0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00017df0: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n-00017e00: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00017e10: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00017e20: 2220 643d 224d 3134 3539 2e39 342c 2d34 \" d=\"M1459.94,-4\n-00017e30: 3535 2e38 3243 3134 3538 2e30 322c 2d34 55.82C1458.02,-4\n-00017e40: 3339 2e32 3420 3134 3537 2e34 352c 2d34 39.24 1457.45,-4\n-00017e50: 3130 2e33 3420 3134 3733 2c2d 3339 332e 10.34 1473,-393.\n-00017e60: 3232 2031 3439 342e 3238 2c2d 3336 392e 22 1494.28,-369.\n-00017e70: 3739 2031 3538 322e 3737 2c2d 3335 352e 79 1582.77,-355.\n-00017e80: 3339 2031 3633 332e 3632 2c2d 3334 382e 39 1633.62,-348.\n-00017e90: 3838 222f 3e0a 3c70 6f6c 7967 6f6e 2066 88\"/>....\n-00017f80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00017f90: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-00017fa0: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n-00017fb0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00017fc0: 5f67 726f 6d61 6373 5f73 7461 7469 7374 _gromacs_statist\n-00017fd0: 6963 733c 2f74 6974 6c65 3e0a 3c70 6174 ics......mod\n-00018180: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00018190: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-000181a0: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n-000181b0: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-000181c0: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n-000181d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000181e0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-000181f0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00018200: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00018210: 3134 3937 2e32 382c 2d34 3538 2e32 4331 1497.28,-458.2C1\n-00018220: 3533 332e 3235 2c2d 3434 372e 3638 2031 533.25,-447.68 1\n-00018230: 3538 392e 3035 2c2d 3433 312e 3334 2031 589.05,-431.34 1\n-00018240: 3632 372e 3434 2c2d 3432 302e 3131 222f 627.44,-420.11\"/\n-00018250: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00018260: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00018270: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n-00018280: 733d 2231 3632 382e 3637 2c2d 3432 332e s=\"1628.67,-423.\n-00018290: 3420 3136 3337 2e32 392c 2d34 3137 2e32 4 1637.29,-417.2\n-000182a0: 3320 3136 3236 2e37 312c 2d34 3136 2e36 3 1626.71,-416.6\n-000182b0: 3820 3136 3238 2e36 372c 2d34 3233 2e34 8 1628.67,-423.4\n-000182c0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-000182d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000182e0: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-000182f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00018300: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n-00018310: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00018320: 3438 2220 636c 6173 733d 2265 6467 6522 48\" class=\"edge\"\n-00018330: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00018340: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00018350: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-00018360: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00018370: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n-00018380: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00018390: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-000183a0: 6266 6266 2220 643d 224d 3130 3339 2e36 bfbf\" d=\"M1039.6\n-000183b0: 372c 2d31 3633 2e37 3543 3130 3438 2e30 7,-163.75C1048.0\n-000183c0: 382c 2d31 3635 2e35 3420 3130 3536 2e38 8,-165.54 1056.8\n-000183d0: 342c 2d31 3637 2e33 2031 3036 352c 2d31 4,-167.3 1065,-1\n-000183e0: 3638 2e36 3120 3132 3234 2e36 352c 2d31 68.61 1224.65,-1\n-000183f0: 3934 2e31 3820 3132 3636 2e36 312c 2d31 94.18 1266.61,-1\n-00018400: 3834 2e32 2031 3432 372c 2d32 3034 2e36 84.2 1427,-204.6\n-00018410: 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3532 1883.75,-661.52\n-00018500: 2031 3838 312e 352c 2d36 3834 2e39 2031 1881.5,-684.9 1\n-00018510: 3836 312c 2d37 3730 2e34 3420 3138 3434 861,-770.44 1844\n-00018520: 2e39 382c 2d38 3337 2e32 3820 3138 3634 .98,-837.28 1864\n-00018530: 2e35 362c 2d38 3630 2e35 3420 3138 3336 .56,-860.54 1836\n-00018540: 2c2d 3932 332e 3035 2031 3832 372e 3335 ,-923.05 1827.35\n-00018550: 2c2d 3934 312e 3939 2031 3831 382c 2d39 ,-941.99 1818,-9\n-00018560: 3432 2e30 3320 3138 3036 2c2d 3935 392e 42.03 1806,-959.\n-00018570: 3035 2031 3737 392e 3331 2c2d 3939 362e 05 1779.31,-996.\n-00018580: 3931 2031 3739 322e 3132 2c2d 3130 3233 91 1792.12,-1023\n-00018590: 2e39 3920 3137 3533 2c2d 3130 3438 2e37 .99 1753,-1048.7\n-000185a0: 3920 3137 3132 2e30 372c 2d31 3037 342e 9 1712.07,-1074.\n-000185b0: 3735 2031 3337 362e 3734 2c2d 3130 3931 75 1376.74,-1091\n-000185c0: 2e31 3320 3132 3632 2e31 312c 2d31 3039 .13 1262.11,-109\n-000185d0: 352e 3833 222f 3e0a 3c70 6f6c 7967 6f6e 5.83\"/>.<polygon\n-000185e0: 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6d6f 6475 ge\">.<title>modu\n-000186d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n-000186e0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n-000186f0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00018700: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00018710: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity...<\n-000188f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..\n-00018940: 3c67 2069 643d 2265 6467 6531 3530 2220 .module_src_\n-00018970: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-00018980: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00018990: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000189a0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-000189b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n-00018b40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00018b50: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n-00018b60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00018b70: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00018b80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......m\n-00018cd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00018ce0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-00018cf0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00018d00: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n-00018d10: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_gro\n-00018e90: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-00018ea0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00018eb0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00018ec0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00018ed0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n-00018fc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-00019040: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-00019050: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n-00019060: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n-00019070: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n-00019080: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-000190e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n-000191c0: 655f 7372 635f 6772 6f6d 6163 735f 6c69 e_src_gromacs_li\n-000191d0: 7374 6564 5f66 6f72 6365 7326 2334 353b sted_forces-\n-000191e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-000191f0: 726f 6d61 6373 5f6e 626e 786d 3c2f 7469 romacs_nbnxm</ti\n-00019200: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00019210: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n-00019220: 6564 2220 643d 224d 3934 392e 3233 2c2d ed\" d=\"M949.23,-\n-00019230: 3135 362e 3935 4338 3231 2e37 372c 2d31 156.95C821.77,-1\n-00019240: 3539 2e33 3820 3439 362e 3632 2c2d 3136 59.38 496.62,-16\n-00019250: 382e 3936 2034 3634 2c2d 3230 342e 3631 8.96 464,-204.61\n-00019260: 2033 3639 2e35 382c 2d33 3037 2e38 2034 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6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00019360: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00019370: 3c67 2069 643d 2265 6467 6531 3433 2220 <g id=\"edge143\" \n-00019380: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00019390: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-000193a0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-000193b0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-000193c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000193d0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-000193e0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n-000195a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-00019610: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n-00019680: 655f 7372 635f 6772 6f6d 6163 735f 6666 e_src_gromacs_ff\n-00019690: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-000196a0: 5f73 7263 5f67 726f 6d61 6373 5f67 7075 _src_gromacs_gpu\n-000196b0: 5f75 7469 6c73 3c2f 7469 746c 653e 0a3c _utils.<\n-000196c0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000196d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-000196e0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-000196f0: 6179 3d22 352c 3222 2064 3d22 4d32 3337 ay=\"5,2\" d=\"M237\n-00019700: 352e 3635 2c2d 3538 322e 3032 4332 3338 5.65,-582.02C238\n-00019710: 322e 3038 2c2d 3536 362e 3220 3233 3934 2.08,-566.2 2394\n-00019720: 2e38 372c 2d35 3338 2e33 3920 3234 3132 .87,-538.39 2412\n-00019730: 2c2d 3531 382e 3936 2032 3433 302e 3131 ,-518.96 2430.11\n-00019740: 2c2d 3439 382e 3432 2032 3434 352e 3933 ,-498.42 2445.93\n-00019750: 2c2d 3530 352e 3133 2032 3436 322c 2d34 ,-505.13 2462,-4\n-00019760: 3832 2e39 3620 3235 3138 2e34 362c 2d34 82.96 2518.46,-4\n-00019770: 3035 2e31 2032 3531 382e 352c 2d33 3536 05.1 2518.5,-356\n-00019780: 2e34 3720 3234 3832 2c2d 3236 372e 3438 .47 2482,-267.48\n-00019790: 2032 3433 372e 3333 2c2d 3135 382e 3535 2437.33,-158.55\n-000197a0: 2032 3430 342e 3033 2c2d 3132 352e 3637 2404.03,-125.67\n-000197b0: 2032 3239 362c 2d37 382e 3837 2032 3230 2296,-78.87 220\n-000197c0: 382e 3136 2c2d 3430 2e38 3120 3732 362e 8.16,-40.81 726.\n-000197d0: 3532 2c2d 3332 2e30 3120 3433 332e 3935 52,-32.01 433.95\n-000197e0: 2c2d 3330 2e36 3522 2f3e 0a3c 706f 6c79 ,-30.65\"/>.....\n-000198c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000198d0: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-000198e0: 743b 6d6f 6475 6c65 5f73 7263 5f74 6573 t;module_src_tes\n-000198f0: 7475 7469 6c73 3c2f 7469 746c 653e 0a3c tutils.<\n-00019900: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00019910: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n-00019920: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00019930: 6179 3d22 352c 3222 2064 3d22 4d31 3639 ay=\"5,2\" d=\"M169\n-00019940: 302e 3332 2c2d 3335 322e 3736 4331 3639 0.32,-352.76C169\n-00019950: 352e 3337 2c2d 3335 342e 3438 2031 3730 5.37,-354.48 170\n-00019960: 302e 3833 2c2d 3335 362e 3131 2031 3730 0.83,-356.11 170\n-00019970: 362c 2d33 3537 2e32 3220 3138 3032 2e33 6,-357.22 1802.3\n-00019980: 372c 2d33 3737 2e38 3720 3235 3836 2c2d 7,-377.87 2586,-\n-00019990: 3336 392e 3937 2032 3538 362c 2d34 3638 369.97 2586,-468\n-000199a0: 2e35 3320 3235 3836 2c2d 3834 372e 3735 .53 2586,-847.75\n-000199b0: 2032 3538 362c 2d38 3437 2e37 3520 3235 2586,-847.75 25\n-000199c0: 3836 2c2d 3834 372e 3735 2032 3538 362c 86,-847.75 2586,\n-000199d0: 2d31 3031 372e 3234 2031 3939 362e 3139 -1017.24 1996.19\n-000199e0: 2c2d 3931 322e 3932 2031 3832 372c 2d39 ,-912.92 1827,-9\n-000199f0: 3233 2e30 3520 3134 3432 2e30 352c 2d39 23.05 1442.05,-9\n-00019a00: 3436 2e31 3120 3437 322e 3635 2c2d 3839 46.11 472.65,-89\n-00019a10: 372e 3220 3932 2c2d 3935 392e 3035 2039 7.2 92,-959.05 9\n-00019a20: 302e 3237 2c2d 3935 392e 3333 2038 382e 0.27,-959.33 88.\n-00019a30: 3532 2c2d 3935 392e 3637 2038 362e 3735 52,-959.67 86.75\n-00019a40: 2c2d 3936 302e 3035 222f 3e0a 3c70 6f6c ,-960.05\"/>.....\n-00019b20: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00019b30: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n-00019b40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00019b50: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n-00019b60: 616e 3c2f 7469 746c 653e 0a3c 7061 7468 an....\n-00019ca0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n-00019d10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00019d20: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n-00019d30: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00019d40: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-00019d50: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y......modu\n-00019fc0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-00019fd0: 696c 6569 6f26 2334 353b 2667 743b 6d6f ileio->mo\n-00019fe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019ff0: 5f63 6f6d 7061 743c 2f74 6974 6c65 3e0a _compat.\n-0001a000: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0001a120: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-0001a190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001a1a0: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n-0001a1b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001a1c0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n-0001a1d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001a1e0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001a1f0: 6266 6266 2220 643d 224d 3136 3539 2e32 bfbf\" d=\"M1659.2\n-0001a200: 2c2d 3333 312e 3334 4331 3632 342e 3531 ,-331.34C1624.51\n-0001a210: 2c2d 3239 352e 3436 2031 3531 312e 3235 ,-295.46 1511.25\n-0001a220: 2c2d 3138 352e 3033 2031 3339 322c 2d31 ,-185.03 1392,-1\n-0001a230: 3431 2e37 3420 3133 3631 2e35 372c 2d31 41.74 1361.57,-1\n-0001a240: 3330 2e36 3920 3839 302e 3931 2c2d 3130 30.69 890.91,-10\n-0001a250: 332e 3637 2037 3436 2e36 392c 2d39 352e 3.67 746.69,-95.\n-0001a260: 3631 222f 3e0a 3c70 6f6c 7967 6f6e 2066 61\"/>.<polygon f\n-0001a270: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0001a280: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0001a290: 6f69 6e74 733d 2237 3436 2e36 362c 2d39 oints=\"746.66,-9\n-0001a2a0: 322e 3120 3733 362e 3439 2c2d 3935 2e30 2.1 736.49,-95.0\n-0001a2b0: 3420 3734 362e 3237 2c2d 3939 2e30 3920 4 746.27,-99.09 \n-0001a2c0: 3734 362e 3636 2c2d 3932 2e31 222f 3e0a 746.66,-92.1\"/>.\n-0001a2d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001a2e0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001a2f0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-0001a300: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0001a310: 7261 6a65 6374 6f72 7920 2d2d 3e0a 3c67 rajectory -->.<g\n-0001a320: 2069 643d 2265 6467 6531 3539 2220 636c id=\"edge159\" cl\n-0001a330: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001a340: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001a350: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n-0001a360: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001a370: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n-0001a380: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry......modul\n-0001a540: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001a550: 6c65 696f 2623 3435 3b26 6774 3b6d 6f64 leio->mod\n-0001a560: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001a570: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-0001a580: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n-0001a6d0: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n-0001a6e0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001a6f0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-0001a700: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.....<\n-0001a910: 6720 6964 3d22 6564 6765 3135 3822 2063 g id=\"edge158\" c\n-0001a920: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001a940: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n-0001a950: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001a960: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0001a970: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh......mod\n-0001abf0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ac00: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n-0001ac10: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001ac20: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-0001ac30: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001ac40: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001ac50: 3d22 2362 6662 6662 6622 2064 3d22 4d35 =\"#bfbfbf\" d=\"M5\n-0001ac60: 3039 2e35 352c 2d32 3331 2e31 3443 3435 09.55,-231.14C45\n-0001ac70: 302e 3835 2c2d 3237 382e 3537 2032 3435 0.85,-278.57 245\n-0001ac80: 2c2d 3435 3920 3234 352c 2d36 3537 2e31 ,-459 245,-657.1\n-0001ac90: 3420 3234 352c 2d38 3437 2e37 3520 3234 4 245,-847.75 24\n-0001aca0: 352c 2d38 3437 2e37 3520 3234 352c 2d38 5,-847.75 245,-8\n-0001acb0: 3437 2e37 3520 3234 352c 2d39 3437 2e39 47.75 245,-947.9\n-0001acc0: 3420 3236 332e 3039 2c2d 3939 342e 3033 4 263.09,-994.03\n-0001acd0: 2033 3437 2c2d 3130 3438 2e37 3920 3431 347,-1048.79 41\n-0001ace0: 372e 3834 2c2d 3130 3935 2e30 3320 3130 7.84,-1095.03 10\n-0001acf0: 3234 2e38 2c2d 3130 3937 2e35 2031 3138 24.8,-1097.5 118\n-0001ad00: 352e 3234 2c2d 3130 3937 2e33 3422 2f3e 5.24,-1097.34\"/>\n-0001ad10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0001ad20: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-0001ad30: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-0001ad40: 3d22 3131 3835 2e35 382c 2d31 3130 302e =\"1185.58,-1100.\n-0001ad50: 3834 2031 3139 352e 3538 2c2d 3130 3937 84 1195.58,-1097\n-0001ad60: 2e33 3220 3131 3835 2e35 372c 2d31 3039 .32 1185.57,-109\n-0001ad70: 332e 3834 2031 3138 352e 3538 2c2d 3131 3.84 1185.58,-11\n-0001ad80: 3030 2e38 3422 2f3e 0a3c 2f67 3e0a 3c21 00.84\"/>.</g>.<!\n-0001ad90: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001ada0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n-0001adb0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n-0001adc0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001add0: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n-0001ade0: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-0001adf0: 6531 3639 2220 636c 6173 733d 2265 6467 e169\" class=\"edg\n-0001ae00: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001ae10: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001ae20: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0001ae30: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001ae40: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-0001ae50: 6c64 796e 616d 6963 733c 2f74 6974 6c65 ldynamics</title\n-0001ae60: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001ae70: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-0001ae80: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-0001ae90: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001aea0: 3532 342e 3833 2c2d 3233 312e 3643 3532 524.83,-231.6C52\n-0001aeb0: 342e 3735 2c2d 3234 362e 3537 2035 3234 4.75,-246.57 524\n-0001aec0: 2e39 372c 2d32 3732 2e33 3420 3532 372c .97,-272.34 527,\n-0001aed0: 2d32 3934 2e33 3520 3533 322e 3233 2c2d -294.35 532.23,-\n-0001aee0: 3335 302e 3932 2035 3337 2e39 332c 2d33 350.92 537.93,-3\n-0001aef0: 3634 2e35 3720 3535 302c 2d34 3230 2e30 64.57 550,-420.0\n-0001af00: 3920 3630 322e 3831 2c2d 3636 332e 3037 9 602.81,-663.07\n-0001af10: 2036 3130 2e39 382c 2d37 3535 2e38 3320 610.98,-755.83 \n-0001af20: 3739 352c 2d39 3233 2e30 3520 3931 342e 795,-923.05 914.\n-0001af30: 3633 2c2d 3130 3331 2e37 3620 3938 352e 63,-1031.76 985.\n-0001af40: 322c 2d39 3937 2e36 2031 3134 352c 2d31 2,-997.6 1145,-1\n-0001af50: 3032 312e 3932 2031 3135 302e 382c 2d31 021.92 1150.8,-1\n-0001af60: 3032 322e 3820 3131 3536 2e38 352c 2d31 022.8 1156.85,-1\n-0001af70: 3032 332e 3733 2031 3136 322e 3839 2c2d 023.73 1162.89,-\n-0001af80: 3130 3234 2e36 3722 2f3e 0a3c 706f 6c79 1024.67\"/>.<poly\n-0001af90: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001afa0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001afb0: 6363 2220 706f 696e 7473 3d22 3131 3632 cc\" points=\"1162\n-0001afc0: 2e36 2c2d 3130 3238 2e31 3720 3131 3733 .6,-1028.17 1173\n-0001afd0: 2e30 322c 2d31 3032 362e 3235 2031 3136 .02,-1026.25 116\n-0001afe0: 332e 3637 2c2d 3130 3231 2e32 3520 3131 3.67,-1021.25 11\n-0001aff0: 3632 2e36 2c2d 3130 3238 2e31 3722 2f3e 62.6,-1028.17\"/>\n-0001b000: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001b010: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001b020: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0001b030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001b040: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-0001b050: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n-0001b060: 6564 6765 3136 3422 2063 6c61 7373 3d22 edge164\" class=\"\n-0001b070: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001b080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b090: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-0001b0a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001b0b0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0001b0c0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-0001b0d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-0001b370: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-0001b380: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-0001b390: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001b3a0: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-0001b3b0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001b3c0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001b3d0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001b3e0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001b3f0: 3d22 4d35 3334 2e39 342c 2d32 3331 2e35 =\"M534.94,-231.5\n-0001b400: 3243 3536 382e 3239 2c2d 3237 322e 3638 2C568.29,-272.68\n-0001b410: 2036 3830 2e38 332c 2d34 3035 2e38 3620 680.83,-405.86 \n-0001b420: 3830 302c 2d34 3832 2e39 3620 3832 352e 800,-482.96 825.\n-0001b430: 372c 2d34 3939 2e35 3920 3835 382e 3033 7,-499.59 858.03\n-0001b440: 2c2d 3531 322e 3233 2038 3832 2e36 352c ,-512.23 882.65,\n-0001b450: 2d35 3230 2e34 3322 2f3e 0a3c 706f 6c79 -520.43\"/>.<poly\n-0001b460: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001b470: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001b480: 6363 2220 706f 696e 7473 3d22 3838 312e cc\" points=\"881.\n-0001b490: 3736 2c2d 3532 332e 3832 2038 3932 2e33 76,-523.82 892.3\n-0001b4a0: 362c 2d35 3233 2e35 3620 3838 332e 3931 6,-523.56 883.91\n-0001b4b0: 2c2d 3531 372e 3136 2038 3831 2e37 362c ,-517.16 881.76,\n-0001b4c0: 2d35 3233 2e38 3222 2f3e 0a3c 2f67 3e0a -523.82\"/>.</g>.\n-0001b4d0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0001b4e0: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-0001b4f0: 676e 6d65 6e74 2623 3435 3b26 6774 3b6d gnment->m\n-0001b500: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b510: 735f 6c69 7374 6564 5f66 6f72 6365 7320 s_listed_forces \n-0001b520: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-0001b530: 3637 2220 636c 6173 733d 2265 6467 6522 67\" class=\"edge\"\n-0001b540: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001b550: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n-0001b560: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n-0001b570: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001b580: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n-0001b590: 6365 733c 2f74 6974 6c65 3e0a 3c70 6174 ces......m\n-0001b700: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b710: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n-0001b720: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001b730: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-0001b740: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib....<\n-0001b850: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001b860: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0001b870: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0001b880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b890: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n-0001b8a0: 6720 6964 3d22 6564 6765 3137 3022 2063 g id=\"edge170\" c\n-0001b8b0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001b8d0: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n-0001b8e0: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n-0001b8f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b900: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils......modul\n-0001baa0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n-0001bab0: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n-0001bac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001bad0: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n-0001bae0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0001bc60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001bc70: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n-0001bc80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001bc90: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n-0001bca0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n-0001bd60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001bd70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001bd80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001bd90: 3431 392e 3339 2c2d 3633 352e 3237 2034 419.39,-635.27 4\n-0001bda0: 3234 2e34 352c 2d36 3434 2e35 3820 3432 24.45,-644.58 42\n-0001bdb0: 362e 332c 2d36 3334 2e31 3420 3431 392e 6.3,-634.14 419.\n-0001bdc0: 3339 2c2d 3633 352e 3237 222f 3e0a 3c2f 39,-635.27\"/>..\n-0001be20: 0a3c 6720 6964 3d22 6564 6765 3136 3522 ..<\n-0001be40: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001be50: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n-0001be60: 6967 6e6d 656e 7426 2334 353b 2667 743b ignment->\n-0001be70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001be80: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes..\n-0001c010: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-0001c080: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c090: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n-0001c0a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c0b0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n-0001c0c0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c0d0: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n-0001c0e0: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n-0001c0f0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-0001c100: 3637 332e 3431 2c2d 3934 2e31 3743 3539 673.41,-94.17C59\n-0001c110: 392e 3434 2c2d 3936 2e37 2034 3138 2e34 9.44,-96.7 418.4\n-0001c120: 352c 2d31 3036 2e33 3320 3337 302c 2d31 5,-106.33 370,-1\n-0001c130: 3431 2e37 3420 3331 392e 3933 2c2d 3137 41.74 319.93,-17\n-0001c140: 382e 3333 2032 3636 2e37 342c 2d33 3333 8.33 266.74,-333\n-0001c150: 2e38 2032 3439 2c2d 3339 332e 3232 2032 .8 249,-393.22 2\n-0001c160: 3135 2e31 352c 2d35 3036 2e36 2032 3134 15.15,-506.6 214\n-0001c170: 2c2d 3533 382e 3831 2032 3134 2c2d 3635 ,-538.81 214,-65\n-0001c180: 372e 3134 2032 3134 2c2d 3738 342e 3838 7.14 214,-784.88\n-0001c190: 2032 3134 2c2d 3738 342e 3838 2032 3134 214,-784.88 214\n-0001c1a0: 2c2d 3738 342e 3838 2032 3134 2c2d 3931 ,-784.88 214,-91\n-0001c1b0: 302e 3739 2032 3035 2e30 382c 2d39 3931 0.79 205.08,-991\n-0001c1c0: 2e31 3120 3331 372c 2d31 3034 382e 3739 .11 317,-1048.79\n-0001c1d0: 2033 3935 2e33 352c 2d31 3038 392e 3137 395.35,-1089.17\n-0001c1e0: 2031 3032 332e 3234 2c2d 3130 3935 2e39 1023.24,-1095.9\n-0001c1f0: 3320 3131 3835 2e37 372c 2d31 3039 372e 3 1185.77,-1097.\n-0001c200: 3032 222f 3e0a 3c70 6f6c 7967 6f6e 2066 02\"/>.<polygon f\n-0001c210: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n-0001c220: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n-0001c230: 6f69 6e74 733d 2231 3138 352e 3737 2c2d oints=\"1185.77,-\n-0001c240: 3131 3030 2e35 3220 3131 3935 2e37 392c 1100.52 1195.79,\n-0001c250: 2d31 3039 372e 3039 2031 3138 352e 3832 -1097.09 1185.82\n-0001c260: 2c2d 3130 3933 2e35 3220 3131 3835 2e37 ,-1093.52 1185.7\n-0001c270: 372c 2d31 3130 302e 3532 222f 3e0a 3c2f 7,-1100.52\"/>.</\n-0001c280: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001c290: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0001c2a0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-0001c2b0: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n-0001c2c0: 6c65 7320 2d2d 3e0a 3c67 2069 643d 2265 les -->.<g id=\"e\n-0001c2d0: 6467 6531 3735 2220 636c 6173 733d 2265 dge175\" class=\"e\n-0001c2e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-0001c2f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001c300: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n-0001c310: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c320: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables\n-0001c330: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n-0001c4f0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0001c500: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-0001c510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001c520: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-0001c530: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001c540: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-0001c550: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" stroke-dasha\n-0001c560: 7272 6179 3d22 352c 3222 2064 3d22 4d37 rray=\"5,2\" d=\"M7\n-0001c570: 3336 2e36 352c 2d39 342e 3635 4338 3337 36.65,-94.65C837\n-0001c580: 2e33 382c 2d39 392e 3132 2031 3135 392e .38,-99.12 1159.\n-0001c590: 3532 2c2d 3131 342e 3637 2031 3432 352c 52,-114.67 1425,\n-0001c5a0: 2d31 3431 2e37 3420 3135 3437 2e37 332c -141.74 1547.73,\n-0001c5b0: 2d31 3534 2e32 3520 3139 3735 2c2d 3933 -154.25 1975,-93\n-0001c5c0: 2e36 3820 3139 3735 2c2d 3231 372e 3035 .68 1975,-217.05\n-0001c5d0: 2031 3937 352c 2d32 3831 2e39 3220 3139 1975,-281.92 19\n-0001c5e0: 3735 2c2d 3238 312e 3932 2031 3937 352c 75,-281.92 1975,\n-0001c5f0: 2d32 3831 2e39 3220 3139 3735 2c2d 3330 -281.92 1975,-30\n-0001c600: 392e 3932 2031 3739 362e 3136 2c2d 3336 9.92 1796.16,-36\n-0001c610: 372e 3539 2031 3731 322e 3337 2c2d 3339 7.59 1712.37,-39\n-0001c620: 332e 3038 222f 3e0a 3c70 6f6c 7967 6f6e 3.08\"/>.<polygon\n-0001c630: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n-0001c640: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n-0001c650: 6e74 733d 2231 3731 312e 322c 2d33 3839 nts=\"1711.2,-389\n-0001c660: 2e37 3720 3137 3032 2e36 342c 2d33 3936 .77 1702.64,-396\n-0001c670: 2e30 3220 3137 3133 2e32 332c 2d33 3936 .02 1713.23,-396\n-0001c680: 2e34 3720 3137 3131 2e32 2c2d 3338 392e .47 1711.2,-389.\n-0001c690: 3737 222f 3e0a 3c2f 673e 0a3c 212d 2d20 77\"/>.</g>.<!-- \n-0001c6a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001c6b0: 6373 5f67 6d78 6c69 6226 2334 353b 2667 cs_gmxlib-&g\n-0001c6c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001c6d0: 6d61 6373 5f65 7761 6c64 202d 2d3e 0a3c macs_ewald -->.<\n-0001c6e0: 6720 6964 3d22 6564 6765 3137 3322 2063 g id=\"edge173\" c\n-0001c6f0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001c700: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001c710: 726f 6d61 6373 5f67 6d78 6c69 6226 2334 romacs_gmxlib\n-0001c720: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c730: 5f67 726f 6d61 6373 5f65 7761 6c64 3c2f _gromacs_ewald</\n-0001c740: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001c750: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001c760: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-0001c770: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001c780: 2064 3d22 4d36 3734 2e32 2c2d 3936 2e33 d=\"M674.2,-96.3\n-0001c790: 3243 3631 322e 3137 2c2d 3130 322e 3336 2C612.17,-102.36\n-0001c7a0: 2034 3735 2e34 372c 2d31 3137 2e34 3620 475.47,-117.46 \n-0001c7b0: 3433 352c 2d31 3431 2e37 3420 3430 342e 435,-141.74 404.\n-0001c7c0: 3632 2c2d 3135 392e 3936 2034 3031 2e31 62,-159.96 401.1\n-0001c7d0: 312c 2d31 3732 2e35 3720 3338 362c 2d32 1,-172.57 386,-2\n-0001c7e0: 3034 2e36 3120 3331 342e 3635 2c2d 3335 04.61 314.65,-35\n-0001c7f0: 352e 3934 2033 3935 2e34 382c 2d35 3636 5.94 395.48,-566\n-0001c800: 2e34 2034 3230 2e35 322c 2d36 3334 2e37 .4 420.52,-634.7\n-0001c810: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n-0001c820: 6c6c 3d22 2332 6363 6332 3822 2073 7472 ll=\"#2ccc28\" str\n-0001c830: 6f6b 653d 2223 3263 6363 3238 2220 706f oke=\"#2ccc28\" po\n-0001c840: 696e 7473 3d22 3431 372e 3334 2c2d 3633 ints=\"417.34,-63\n-0001c850: 362e 3235 2034 3234 2e30 332c 2d36 3434 6.25 424.03,-644\n-0001c860: 2e34 3620 3432 332e 3932 2c2d 3633 332e .46 423.92,-633.\n-0001c870: 3837 2034 3137 2e33 342c 2d36 3336 2e32 87 417.34,-636.2\n-0001c880: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n-0001c890: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c8a0: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n-0001c8b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c8c0: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-0001c8d0: 3c67 2069 643d 2265 6467 6531 3732 2220 <g id=\"edge172\" \n-0001c8e0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0001c8f0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0001c900: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-0001c910: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001c920: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0001c930: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_grom\n-0001cb30: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n-0001cb40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001cb50: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-0001cb60: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......\n-0001cd60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001cd70: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n-0001cd80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001cd90: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n-0001cda0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001cdb0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001cdc0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001cdd0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001cde0: 2064 3d22 4d31 3337 332e 3731 2c2d 3437 d=\"M1373.71,-47\n-0001cdf0: 372e 3643 3134 3134 2e31 362c 2d34 3932 7.6C1414.16,-492\n-0001ce00: 2e33 2031 3439 372c 2d35 3330 2e32 3320 .3 1497,-530.23 \n-0001ce10: 3134 3937 2c2d 3539 342e 3237 2031 3439 1497,-594.27 149\n-0001ce20: 372c 2d37 3232 2e30 3120 3134 3937 2c2d 7,-722.01 1497,-\n-0001ce30: 3732 322e 3031 2031 3439 372c 2d37 3232 722.01 1497,-722\n-0001ce40: 2e30 3120 3134 3937 2c2d 3735 382e 3536 .01 1497,-758.56\n-0001ce50: 2031 3530 392e 3532 2c2d 3739 392e 3533 1509.52,-799.53\n-0001ce60: 2031 3531 382e 3338 2c2d 3832 332e 3935 1518.38,-823.95\n-0001ce70: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001ce80: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0001ce90: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0001cea0: 6e74 733d 2231 3531 352e 3132 2c2d 3832 nts=\"1515.12,-82\n-0001ceb0: 352e 3231 2031 3532 312e 3931 2c2d 3833 5.21 1521.91,-83\n-0001cec0: 332e 3334 2031 3532 312e 3637 2c2d 3832 3.34 1521.67,-82\n-0001ced0: 322e 3735 2031 3531 352e 3132 2c2d 3832 2.75 1515.12,-82\n-0001cee0: 352e 3231 222f 3e0a 3c2f 673e 0a3c 212d 5.21\"/>.</g>.<!-\n-0001cef0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001cf00: 6d61 6373 5f69 6d64 2623 3435 3b26 6774 macs_imd->\n-0001cf10: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001cf20: 6163 735f 646f 6d64 6563 202d 2d3e 0a3c acs_domdec -->.<\n-0001cf30: 6720 6964 3d22 6564 6765 3137 3722 2063 g id=\"edge177\" c\n-0001cf40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-0001cf50: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-0001cf60: 726f 6d61 6373 5f69 6d64 2623 3435 3b26 romacs_imd-&\n-0001cf70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001cf80: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n-0001cf90: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001cfa0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001cfb0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001cfc0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001cfd0: 3d22 4d31 3332 362e 3832 2c2d 3437 342e =\"M1326.82,-474.\n-0001cfe0: 3538 4331 3235 352e 3632 2c2d 3438 352e 58C1255.62,-485.\n-0001cff0: 3138 2031 3035 332e 3035 2c2d 3531 332e 18 1053.05,-513.\n-0001d000: 3735 2039 3633 2e34 322c 2d35 3235 2e38 75 963.42,-525.8\n-0001d010: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.<polygon fi\n-0001d020: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-0001d030: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-0001d040: 696e 7473 3d22 3936 322e 3737 2c2d 3532 ints=\"962.77,-52\n-0001d050: 322e 3431 2039 3533 2e33 322c 2d35 3237 2.41 953.32,-527\n-0001d060: 2e32 3120 3936 332e 372c 2d35 3239 2e33 .21 963.7,-529.3\n-0001d070: 3520 3936 322e 3737 2c2d 3532 322e 3431 5 962.77,-522.41\n-0001d080: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0001d090: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d0a0: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->mod\n-0001d0b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001d0c0: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n-0001d0d0: 3d22 6564 6765 3137 3822 2063 6c61 7373 =\"edge178\" class\n-0001d0e0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-0001d0f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001d100: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n-0001d110: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d120: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-0001d130: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0001d240: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...m\n-0001d4b0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001d4c0: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n-0001d4d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001d4e0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n-0001d4f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001d500: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n-0001d510: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n-0001d520: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-0001d530: 4d31 3337 322e 3736 2c2d 3436 302e 3731 M1372.76,-460.71\n-0001d540: 4331 3337 372e 3731 2c2d 3435 392e 3033 C1377.71,-459.03\n-0001d550: 2031 3338 332c 2d34 3537 2e33 3720 3133 1383,-457.37 13\n-0001d560: 3838 2c2d 3435 362e 3039 2031 3430 392e 88,-456.09 1409.\n-0001d570: 3737 2c2d 3435 302e 3520 3135 3431 2e37 77,-450.5 1541.7\n-0001d580: 312c 2d34 3238 2e36 3120 3136 3137 2e31 1,-428.61 1617.1\n-0001d590: 362c 2d34 3136 2e32 3522 2f3e 0a3c 706f 6,-416.25\"/>.<po\n-0001d5a0: 6c79 676f 6e20 6669 6c6c 3d22 626c 6163 lygon fill=\"blac\n-0001d5b0: 6b22 2073 7472 6f6b 653d 2262 6c61 636b k\" stroke=\"black\n-0001d5c0: 2220 706f 696e 7473 3d22 3136 3138 2e31 \" points=\"1618.1\n-0001d5d0: 312c 2d34 3139 2e36 3520 3136 3237 2e34 1,-419.65 1627.4\n-0001d5e0: 312c 2d34 3134 2e35 3820 3136 3136 2e39 1,-414.58 1616.9\n-0001d5f0: 382c 2d34 3132 2e37 3420 3136 3138 2e31 8,-412.74 1618.1\n-0001d600: 312c 2d34 3139 2e36 3522 2f3e 0a3c 2f67 1,-419.65\"/>.</g\n-0001d610: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0001d620: 635f 6772 6f6d 6163 735f 696d 6426 2334 c_gromacs_imd\n-0001d630: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001d640: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0001d650: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001d660: 3138 3222 2063 6c61 7373 3d22 6564 6765 182\" class=\"edge\n-0001d670: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001d680: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-0001d690: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001d6a0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0001d6b0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module\n-0001d890: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n-0001d8a0: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n-0001d8b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-0001d8c0: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......modu\n-0001da80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-0001da90: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n-0001daa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001dab0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n-0001dac0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001dad0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001dae0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0001daf0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0001db00: 224d 3939 342e 3433 2c2d 3732 372e 3433 \"M994.43,-727.43\n-0001db10: 4331 3038 302e 3232 2c2d 3734 362e 3439 C1080.22,-746.49\n-0001db20: 2031 3336 382e 3534 2c2d 3831 302e 3534 1368.54,-810.54\n-0001db30: 2031 3438 312e 3238 2c2d 3833 352e 3539 1481.28,-835.59\n-0001db40: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n-0001db50: 6c3d 2223 3238 3266 6363 2220 7374 726f l=\"#282fcc\" stro\n-0001db60: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n-0001db70: 6e74 733d 2231 3438 302e 3739 2c2d 3833 nts=\"1480.79,-83\n-0001db80: 392e 3036 2031 3439 312e 3331 2c2d 3833 9.06 1491.31,-83\n-0001db90: 372e 3832 2031 3438 322e 3331 2c2d 3833 7.82 1482.31,-83\n-0001dba0: 322e 3233 2031 3438 302e 3739 2c2d 3833 2.23 1480.79,-83\n-0001dbb0: 392e 3036 222f 3e0a 3c2f 673e 0a3c 212d 9.06\"/>.</g>.<!-\n-0001dbc0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001dbd0: 6d61 6373 5f73 7761 7026 2334 353b 2667 macs_swap-&g\n-0001dbe0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001dbf0: 6d61 6373 5f64 6f6d 6465 6320 2d2d 3e0a macs_domdec -->.\n-0001dc00: 3c67 2069 643d 2265 6467 6531 3833 2220 <g id=\"edge183\" \n-0001dc10: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-0001dc20: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0001dc30: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n-0001dc40: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001dc50: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec</\n-0001dc60: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001dc70: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001dc80: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001dc90: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001dca0: 2064 3d22 4d39 3636 2e36 362c 2d37 3037 d=\"M966.66,-707\n-0001dcb0: 2e36 3643 3936 312e 312c 2d36 3837 2e31 .66C961.1,-687.1\n-0001dcc0: 3220 3934 392e 3632 2c2d 3634 342e 3636 2 949.62,-644.66\n-0001dcd0: 2039 3430 2c2d 3630 382e 3720 3933 352e 940,-608.7 935.\n-0001dce0: 3235 2c2d 3539 302e 3933 2039 3239 2e39 25,-590.93 929.9\n-0001dcf0: 2c2d 3537 302e 3739 2039 3235 2e39 332c ,-570.79 925.93,\n-0001dd00: 2d35 3535 2e38 3122 2f3e 0a3c 706f 6c79 -555.81\"/>.<poly\n-0001dd10: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001dd20: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001dd30: 6363 2220 706f 696e 7473 3d22 3932 392e cc\" points=\"929.\n-0001dd40: 3236 2c2d 3535 342e 3720 3932 332e 3331 26,-554.7 923.31\n-0001dd50: 2c2d 3534 352e 3932 2039 3232 2e34 392c ,-545.92 922.49,\n-0001dd60: 2d35 3536 2e34 3920 3932 392e 3236 2c2d -556.49 929.26,-\n-0001dd70: 3535 342e 3722 2f3e 0a3c 2f67 3e0a 3c21 554.7\"/>.</g>.<!\n-0001dd80: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-0001dd90: 6f6d 6163 735f 7377 6170 2623 3435 3b26 omacs_swap-&\n-0001dda0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ddb0: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n-0001ddc0: 0a3c 6720 6964 3d22 6564 6765 3138 3422 .<g id=\"edge184\"\n-0001ddd0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-0001dde0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001ddf0: 5f67 726f 6d61 6373 5f73 7761 7026 2334 _gromacs_swap\n-0001de00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001de10: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n-0001de20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001de30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001de40: 3d22 2362 6662 6662 6622 2064 3d22 4d39 =\"#bfbfbf\" d=\"M9\n-0001de50: 3737 2e35 382c 2d37 3038 2e30 3443 3130 77.58,-708.04C10\n-0001de60: 3133 2e35 2c2d 3635 312e 3439 2031 3136 13.5,-651.49 116\n-0001de70: 362e 3236 2c2d 3431 3320 3132 3030 2c2d 6.26,-413 1200,-\n-0001de80: 3339 332e 3232 2031 3237 332e 3233 2c2d 393.22 1273.23,-\n-0001de90: 3335 302e 3320 3135 3335 2e32 332c 2d33 350.3 1535.23,-3\n-0001dea0: 3435 2e31 3220 3136 3332 2e39 332c 2d33 45.12 1632.93,-3\n-0001deb0: 3434 2e37 3122 2f3e 0a3c 706f 6c79 676f 44.71\"/>.<polygo\n-0001dec0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n-0001ded0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001dee0: 2220 706f 696e 7473 3d22 3136 3332 2e39 \" points=\"1632.9\n-0001def0: 342c 2d33 3438 2e32 3120 3136 3432 2e39 4,-348.21 1642.9\n-0001df00: 332c 2d33 3434 2e36 3820 3136 3332 2e39 3,-344.68 1632.9\n-0001df10: 322c 2d33 3431 2e32 3120 3136 3332 2e39 2,-341.21 1632.9\n-0001df20: 342c 2d33 3438 2e32 3122 2f3e 0a3c 2f67 4,-348.21\"/>.</g\n-0001df30: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-0001df40: 635f 6772 6f6d 6163 735f 7377 6170 2623 c_gromacs_swap&#\n-0001df50: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001df60: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-0001df70: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001df80: 3138 3522 2063 6c61 7373 3d22 6564 6765 185\" class=\"edge\n-0001df90: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001dfa0: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n-0001dfb0: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n-0001dfc0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0001dfd0: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib..\n-0001e100: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-0001e170: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e180: 735f 7377 6170 2623 3435 3b26 6774 3b6d s_swap->m\n-0001e190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e1a0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n-0001e1b0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001e1c0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001e1d0: 6662 6622 2064 3d22 4d39 3730 2e33 322c fbf\" d=\"M970.32,\n-0001e1e0: 2d37 3334 2e35 3543 3937 312e 3632 2c2d -734.55C971.62,-\n-0001e1f0: 3736 372e 3338 2039 3738 2e32 362c 2d38 767.38 978.26,-8\n-0001e200: 3537 2e38 3120 3130 3132 2c2d 3932 332e 57.81 1012,-923.\n-0001e210: 3035 2031 3031 372e 3733 2c2d 3933 342e 05 1017.73,-934.\n-0001e220: 3133 2031 3032 362e 3731 2c2d 3934 342e 13 1026.71,-944.\n-0001e230: 3534 2031 3033 352e 3135 2c2d 3935 322e 54 1035.15,-952.\n-0001e240: 3834 222f 3e0a 3c70 6f6c 7967 6f6e 2066 84\"/>.<polygon f\n-0001e250: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n-0001e260: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n-0001e270: 6f69 6e74 733d 2231 3033 322e 3934 2c2d oints=\"1032.94,-\n-0001e280: 3935 352e 3537 2031 3034 322e 3633 2c2d 955.57 1042.63,-\n-0001e290: 3935 392e 3834 2031 3033 372e 3731 2c2d 959.84 1037.71,-\n-0001e2a0: 3935 302e 3435 2031 3033 322e 3934 2c2d 950.45 1032.94,-\n-0001e2b0: 3935 352e 3537 222f 3e0a 3c2f 673e 0a3c 955.57\"/>.</g>.<\n-0001e2c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001e2d0: 726f 6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n-0001e2e0: 6c79 7369 7320 2d2d 3e0a 3c67 2069 643d lysis -->.<g id=\n-0001e2f0: 226e 6f64 6533 3622 2063 6c61 7373 3d22 \"node36\" class=\"\n-0001e300: 6e6f 6465 223e 0a3c 7469 746c 653e 6d6f node\">.<title>mo\n-0001e310: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001e320: 5f65 6e65 7267 7961 6e61 6c79 7369 733c _energyanalysis<\n-0001e330: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g 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x=\"178\n-0001e420: 3322 2079 3d22 2d34 3637 2e30 3322 2066 3\" y=\"-467.03\" f\n-0001e430: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-0001e440: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-0001e450: 2231 302e 3030 223e 656e 6572 6779 616e \"10.00\">energyan\n-0001e460: 616c 7973 6973 3c2f 7465 7874 3e0a 3c2f alysis</text>.</\n-0001e470: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d a>.</g>.</g>.<!-\n-0001e480: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001e490: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n-0001e4a0: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0001e4b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001e4c0: 6d78 616e 6120 2d2d 3e0a 3c67 2069 643d mxana -->.<g id=\n-0001e4d0: 2265 6467 6531 3932 2220 636c 6173 733d \"edge192\" class=\n-0001e4e0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001e4f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001e500: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n-0001e510: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001e520: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0001e530: 6e61 3c2f 7469 746c 653e 0a3c 7061 7468 na...<\n-0001e6c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-0001e710: 0a3c 6720 6964 3d22 6564 6765 3139 3022 ..<\n-0001e730: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001e740: 5f67 726f 6d61 6373 5f65 6e65 7267 7961 _gromacs_energya\n-0001e750: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n-0001e760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e770: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio......module_src_gro\n-0001e940: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n-0001e950: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0001e960: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n-0001e970: 7461 7469 7374 6963 733c 2f74 6974 6c65 tatistics......module_src_gr\n-0001eb00: 6f6d 6163 735f 656e 6572 6779 616e 616c omacs_energyanal\n-0001eb10: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-0001eb20: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001eb30: 636f 6d6d 616e 646c 696e 653c 2f74 6974 commandline...<\n-0001ec30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n-0001ec80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f75 le_src_gromacs_u\n-0001ec90: 7469 6c69 7479 3c2f 7469 746c 653e 0a3c tility.<\n-0001eca0: 6720 6964 3d22 615f 6e6f 6465 3337 223e g id=\"a_node37\">\n-0001ecb0: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..utility.\n-0001edc0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-0001edd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001ede0: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n-0001edf0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001ee00: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n-0001ee10: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->..module\n-0001ee40: 5f73 7263 5f67 726f 6d61 6373 5f75 7469 _src_gromacs_uti\n-0001ee50: 6c69 7479 2623 3435 3b26 6774 3b6d 6f64 lity->mod\n-0001ee60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ee70: 636f 6d70 6174 3c2f 7469 746c 653e 0a3c compat.<\n-0001ee80: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001ee90: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001eea0: 2220 643d 224d 3132 3738 2e35 362c 2d32 \" d=\"M1278.56,-2\n-0001eeb0: 3731 2e39 3643 3132 3530 2e37 382c 2d32 71.96C1250.78,-2\n-0001eec0: 3631 2e36 3520 3132 3032 2e30 362c 2d32 61.65 1202.06,-2\n-0001eed0: 3433 2e35 3720 3131 3639 2e34 312c 2d32 43.57 1169.41,-2\n-0001eee0: 3331 2e34 3522 2f3e 0a3c 706f 6c79 676f 31.45\"/>...<\n-0001ef60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001ef70: 726f 6d61 6373 5f75 7469 6c69 7479 2623 romacs_utility&#\n-0001ef80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001ef90: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-0001efa0: 696c 7320 2d2d 3e0a 3c67 2069 643d 2265 ils -->..mod\n-0001efd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001efe0: 7574 696c 6974 7926 2334 353b 2667 743b utility->\n-0001eff0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f000: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n-0001f010: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001f020: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001f030: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0001f040: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0001f050: 3d22 4d31 3239 352e 3139 2c2d 3236 372e =\"M1295.19,-267.\n-0001f060: 3633 4331 3239 302e 3138 2c2d 3234 302e 63C1290.18,-240.\n-0001f070: 3835 2031 3238 342e 3439 2c2d 3137 362e 85 1284.49,-176.\n-0001f080: 3831 2031 3234 392c 2d31 3431 2e37 3420 81 1249,-141.74 \n-0001f090: 3131 3737 2e38 382c 2d37 312e 3436 2031 1177.88,-71.46 1\n-0001f0a0: 3133 312e 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c_gromacs_mdspan\n-0001f190: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-0001f1a0: 3139 3622 2063 6c61 7373 3d22 6564 6765 196\" class=\"edge\n-0001f1b0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0001f1c0: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n-0001f1d0: 6c65 7326 2334 353b 2667 743b 6d6f 6475 les->modu\n-0001f1e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001f1f0: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan.....\n-0001f350: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0001f360: 7263 5f67 726f 6d61 6373 5f74 6162 6c65 rc_gromacs_table\n-0001f370: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001f380: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-0001f390: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio..<\n-0001f460: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-0001f470: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-0001f480: 6266 6266 6266 2220 706f 696e 7473 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6774 3b6d _utils->m\n-0001fcd0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001fce0: 735f 6d64 7479 7065 7320 2d2d 3e0a 3c67 s_mdtypes -->.<g\n-0001fcf0: 2069 643d 2265 6467 6531 3939 2220 636c id=\"edge199\" cl\n-0001fd00: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0001fd10: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0001fd20: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n-0001fd30: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001fd40: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-0001fd50: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es....\n-0001ff70: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n-0001ffe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001fff0: 735f 6861 7264 7761 7265 2623 3435 3b26 s_hardware-&\n-00020000: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00020010: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-00020020: 2f74 6974 6c65 3e0a 3c70 6174 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module_src_groma\n-00020110: 6373 5f6d 696d 6963 2623 3435 3b26 6774 cs_mimic->\n-00020120: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00020130: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n-00020140: 2069 643d 2265 6467 6532 3033 2220 636c id=\"edge203\" cl\n-00020150: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-00020160: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00020170: 6f6d 6163 735f 6d69 6d69 6326 2334 353b omacs_mimic-\n-00020180: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00020190: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib</ti\n-000201a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000201b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-000201c0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-000201d0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-000201e0: 3d22 4d34 3939 2e39 382c 2d37 3334 2e32 =\"M499.98,-734.2\n-000201f0: 3343 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5f67 726f - module_src_gro\n-000202e0: 6d61 6373 5f70 6263 7574 696c 202d 2d3e macs_pbcutil -->\n-000202f0: 0a3c 6720 6964 3d22 6e6f 6465 3433 2220 .<g id=\"node43\" \n-00020300: 636c 6173 733d 226e 6f64 6522 3e0a 3c74 class=\"node\">.<t\n-00020310: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00020320: 6772 6f6d 6163 735f 7062 6375 7469 6c3c gromacs_pbcutil<\n-00020330: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n-00020340: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-00020350: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-00020360: 783d 2231 3030 3122 2063 793d 222d 3932 x=\"1001\" cy=\"-92\n-00020370: 2e33 3122 2072 783d 2233 312e 3634 2220 .31\" rx=\"31.64\" \n-00020380: 7279 3d22 3133 2e33 3722 2f3e 0a3c 7465 ry=\"13.37\"/>.<te\n-00020390: 7874 2074 6578 742d 616e 6368 6f72 3d22 xt text-anchor=\"\n-000203a0: 6d69 6464 6c65 2220 783d 2231 3030 3122 middle\" x=\"1001\"\n-000203b0: 2079 3d22 2d38 392e 3831 2220 666f 6e74 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6c73 3c2f 7469 746c 653e 0a3c _utils.<\n-000204b0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-000204c0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-000204d0: 2220 643d 224d 3937 362e 3336 2c2d 3833 \" d=\"M976.36,-83\n-000204e0: 2e37 3743 3936 392e 352c 2d38 312e 3931 .77C969.5,-81.91\n-000204f0: 2039 3632 2e30 312c 2d38 302e 3120 3935 962.01,-80.1 95\n-00020500: 352c 2d37 382e 3837 2037 3634 2e30 382c 5,-78.87 764.08,\n-00020510: 2d34 352e 3235 2035 3332 2e39 392c 2d33 -45.25 532.99,-3\n-00020520: 342e 3735 2034 3333 2e34 392c 2d33 312e 4.75 433.49,-31.\n-00020530: 3635 222f 3e0a 3c70 6f6c 7967 6f6e 2066 65\"/>.....module\n-00020620: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-00020630: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-00020640: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00020650: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib</\n-00020660: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path 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tle>module_src_g\n-00020840: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00020850: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00020860: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020870: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-00020880: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00020890: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-000208a0: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-000208b0: 7261 793d 2235 2c32 2220 643d 224d 3839 ray=\"5,2\" d=\"M89\n-000208c0: 342e 3233 2c2d 3236 372e 3643 3838 332e 4.23,-267.6C883.\n-000208d0: 3637 2c2d 3235 382e 3739 2038 3639 2e32 67,-258.79 869.2\n-000208e0: 392c 2d32 3436 2e38 2038 3537 2e34 362c 9,-246.8 857.46,\n-000208f0: 2d32 3336 2e39 3422 2f3e 0a3c 706f 6c79 -236.94\"/>.<poly\n-00020900: 676f 6e20 6669 6c6c 3d22 626c 6163 6b22 gon fill=\"black\"\n-00020910: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n-00020920: 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6475 tor->modu\n-00020a10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n-00020a20: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n-00020a30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00020a40: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-00020a50: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-00020a60: 6179 3d22 352c 3222 2064 3d22 4d38 3830 ay=\"5,2\" d=\"M880\n-00020a70: 2e32 2c2d 3236 382e 3735 4338 3532 2e38 .2,-268.75C852.8\n-00020a80: 2c2d 3235 382e 3133 2038 3131 2e36 382c ,-258.13 811.68,\n-00020a90: 2d32 3432 2e31 3820 3738 332e 3434 2c2d -242.18 783.44,-\n-00020aa0: 3233 312e 3233 222f 3e0a 3c70 6f6c 7967 231.23\"/>...<\n-00020b20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00020b30: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00020b40: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00020b50: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020b60: 6373 5f6d 6472 756e 7574 696c 6974 7920 cs_mdrunutility \n-00020b70: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n-00020ba0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-00020bb0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-00020bc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00020bd0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n-00020be0: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......module_src_gro\n-00020e90: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n-00020ea0: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n-00020eb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00020ec0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-00020ed0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-00021010: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-00021020: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-00021030: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00021040: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c c_gromacs_mdrun<\n-00021050: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00021060: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00021070: 3d22 7265 6422 2064 3d22 4d39 3035 2e31 =\"red\" d=\"M905.1\n-00021080: 392c 2d32 3934 2e35 3243 3838 342e 3738 9,-294.52C884.78\n-00021090: 2c2d 3333 392e 3837 2037 3937 2e36 312c ,-339.87 797.61,\n-000210a0: 2d34 3939 2e37 3420 3736 392c 2d36 3434 -499.74 769,-644\n-000210b0: 2e37 2037 3631 2e31 322c 2d36 3834 2e36 .7 761.12,-684.6\n-000210c0: 3320 3736 352c 2d37 3332 2e33 3120 3736 3 765,-732.31 76\n-000210d0: 352e 392c 2d37 3539 2e39 3422 2f3e 0a3c 5.9,-759.94\"/>.<\n-000210e0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-000210f0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00021100: 706f 696e 7473 3d22 3736 322e 342c 2d37 points=\"762.4,-7\n-00021110: 3630 2e32 2037 3636 2e30 362c 2d37 3730 60.2 766.06,-770\n-00021120: 2e31 3420 3736 392e 342c 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7263 5f67 726f 6d61 module_src_groma\n-00021530: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00021540: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-00021550: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00021560: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat......mo\n-000216e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000216f0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-00021700: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-00021710: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n-00021720: 6b61 7373 6967 6e6d 656e 743c 2f74 6974 kassignment</tit\n-00021730: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00021740: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n-00021750: 6422 2064 3d22 4d38 3539 2e35 382c 2d32 d\" d=\"M859.58,-2\n-00021760: 3732 2e30 3843 3738 382e 3538 2c2d 3236 72.08C788.58,-26\n-00021770: 302e 3833 2036 3537 2e39 392c 2d32 3430 0.83 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6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-00021870: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00021880: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n-00021890: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n-000218a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000218b0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n-000218c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000218d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-000218e0: 6266 6266 6266 2220 643d 224d 3930 362e bfbfbf\" d=\"M906.\n-000218f0: 3637 2c2d 3236 372e 3231 4339 3033 2e32 67,-267.21C903.2\n-00021900: 2c2d 3235 312e 3136 2038 3935 2e33 352c ,-251.16 895.35,\n-00021910: 2d32 3233 2e33 3720 3838 302c 2d32 3034 -223.37 880,-204\n-00021920: 2e36 3120 3834 302e 3739 2c2d 3135 362e .61 840.79,-156.\n-00021930: 3731 2037 3735 2e33 312c 2d31 3232 2e39 71 775.31,-122.9\n-00021940: 3420 3733 362e 3534 2c2d 3130 352e 3933 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6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00021a40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021a50: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00021a60: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00021a70: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00021a80: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00021a90: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n-00021c40: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021c50: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00021c60: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-00021c70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-00021c80: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline</titl\n-00021c90: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00021ca0: 6f6e 6522 2073 7472 6f6b 653d 2262 6c61 one\" stroke=\"bla\n-00021cb0: 636b 2220 7374 726f 6b65 2d64 6173 6861 ck\" 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2e39 3522 2f3e 0a3c .46,-357.95\"/>.<\n-00022700: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n-00022750: 6720 6964 3d22 6564 6765 3232 3122 2063 g id=\"edge221\" c\n-00022760: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00022780: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00022790: 6e65 2623 3435 3b26 6774 3b6d 6f64 756c ne->modul\n-000227a0: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-000227b0: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions..<\n-00022840: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00022850: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00022860: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00022870: 3137 3238 2e37 2c2d 3336 342e 3834 2031 1728.7,-364.84 1\n-00022880: 3733 342e 3439 2c2d 3335 352e 3937 2031 734.49,-355.97 1\n-00022890: 3732 342e 3433 2c2d 3335 392e 3320 3137 724.43,-359.3 17\n-000228a0: 3238 2e37 2c2d 3336 342e 3834 222f 3e0a 28.7,-364.84\"/>.\n-000228b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n-00022920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00022930: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-00022940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022950: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n-00022960: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-00022970: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-00022980: 2220 643d 224d 3839 352e 3633 2c2d 3132 \" d=\"M895.63,-12\n-00022990: 3736 2e33 3343 3935 322e 3139 2c2d 3132 76.33C952.19,-12\n-000229a0: 3435 2e38 3220 3131 3239 2e32 382c 2d31 45.82 1129.28,-1\n-000229b0: 3135 302e 3331 2031 3139 372e 3136 2c2d 150.31 1197.16,-\n-000229c0: 3131 3133 2e37 222f 3e0a 3c70 6f6c 7967 1113.7\"/>.....module_src_gr\n-00022c60: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-00022c70: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00022c80: 726f 6d61 6373 5f72 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3e0a 3c67 2069 643d 2265 fft -->.<g id=\"e\n-00023330: 6467 6532 3331 2220 636c 6173 733d 2265 dge231\" class=\"e\n-00023340: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-00023350: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023360: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-00023370: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023380: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft..\n-00023470: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gro\n-00023560: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00023570: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00023580: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio...<\n-00023800: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00023870: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00023880: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n-00023890: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000238a0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n-000238b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_\n-00023cf0: 7372 635f 6772 6f6d 6163 735f 746f 6f6c src_gromacs_tool\n-00023d00: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00023d10: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00023d20: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-00023d30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n-00023f70: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n-00023f80: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00023f90: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald.....\n-00024120: 3c67 2069 643d 2265 6467 6532 3235 2220 .module_src_\n-00024150: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n-00024160: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024170: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-00024180: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-000242e0: 6163 735f 6e62 6e78 6d26 2334 353b 2667 acs_nbnxm-&g\n-000242f0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00024300: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib....<\n-000244a0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-000244b0: 726f 6d61 6373 5f6e 626e 786d 2623 3435 romacs_nbnxm-\n-000244c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000244d0: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n-000244e0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3233 ->.\n-00024500: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00024510: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-00024520: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00024530: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-00024540: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec......module_\n-000246b0: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n-000246c0: 6d26 2334 353b 2667 743b 6d6f 6475 6c65 m->module\n-000246d0: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 _src_gromacs_lis\n-000246e0: 7465 645f 666f 7263 6573 3c2f 7469 746c ted_forces</titl\n-000246f0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00024700: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00024710: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00024720: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00024730: 4d34 3639 2e35 332c 2d35 3832 4334 3635 M469.53,-582C465\n-00024740: 2e35 342c 2d35 3637 2e31 2034 3633 2e31 .54,-567.1 463.1\n-00024750: 362c 2d35 3431 2e31 3820 3436 312c 2d35 6,-541.18 461,-5\n-00024760: 3138 2e39 3620 3434 372e 3439 2c2d 3337 18.96 447.49,-37\n-00024770: 392e 3734 2033 3531 2e35 382c 2d33 3037 9.74 351.58,-307\n-00024780: 2e38 2034 3436 2c2d 3230 342e 3631 2034 .8 446,-204.61 4\n-00024790: 3738 2e35 2c2d 3136 392e 3039 2038 3031 78.5,-169.09 801\n-000247a0: 2e32 372c 2d31 3539 2e34 3520 3933 382e .27,-159.45 938.\n-000247b0: 3639 2c2d 3135 362e 3938 222f 3e0a 3c70 69,-156.98\"/>.<p\n-000247c0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-000247d0: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-000247e0: 3832 6663 6322 2070 6f69 6e74 733d 2239 82fcc\" points=\"9\n-000247f0: 3339 2e31 312c 2d31 3630 2e34 3720 3934 39.11,-160.47 94\n-00024800: 392e 3035 2c2d 3135 362e 3820 3933 382e 9.05,-156.8 938.\n-00024810: 3939 2c2d 3135 332e 3438 2039 3339 2e31 99,-153.48 939.1\n-00024820: 312c 2d31 3630 2e34 3722 2f3e 0a3c 2f67 1,-160.47\"/>.</g\n-00024830: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00024840: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n-00024850: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024860: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00024870: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n-00024880: 6532 3431 2220 636c 6173 733d 2265 6467 e241\" class=\"edg\n-00024890: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000248a0: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n-000248b0: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n-000248c0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-000248d0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib...<\n-00024a20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-00024a90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024aa0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n-00024ab0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00024ac0: 6163 735f 6770 755f 7574 696c 733c 2f74 acs_gpu_utils</t\n-00024ad0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00024ae0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00024af0: 7265 6422 2064 3d22 4d34 3533 2e34 362c red\" d=\"M453.46,\n-00024b00: 2d35 3835 2e38 3243 3433 312e 3934 2c2d -585.82C431.94,-\n-00024b10: 3537 372e 3438 2033 3939 2e37 372c 2d35 577.48 399.77,-5\n-00024b20: 3633 2e34 3320 3337 352c 2d35 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346.\n-00024c10: 3535 2c2d 3333 2e38 3620 3333 362e 3232 55,-33.86 336.22\n-00024c20: 2c2d 3331 2e35 2033 3337 2c2d 3338 2e34 ,-31.5 337,-38.4\n-00024c30: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n-00024c40: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00024c50: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-00024c60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024c70: 6373 5f68 6172 6477 6172 6520 2d2d 3e0a cs_hardware -->.\n-00024c80: 3c67 2069 643d 2265 6467 6532 3430 2220 <g id=\"edge240\" \n-00024c90: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00024ca0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00024cb0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-00024cc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024cd0: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n-00024ce0: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..<\n-00024da0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00024db0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n-00024dc0: 706f 696e 7473 3d22 3334 322e 3138 2c2d points=\"342.18,-\n-00024dd0: 3130 352e 3933 2033 3530 2e37 382c 2d39 105.93 350.78,-9\n-00024de0: 392e 3734 2033 3430 2e31 392c 2d39 392e 9.74 340.19,-99.\n-00024df0: 3232 2033 3432 2e31 382c 2d31 3035 2e39 22 342.18,-105.9\n-00024e00: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 3\"/>....module_src_gro\n-00024e80: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n-00024e90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00024ea0: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald.\n-00024f30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ..\n-00024fa0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n-00025010: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00025020: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n-00025030: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00025040: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-00025050: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00025060: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n-00025070: 2220 643d 224d 3438 352e 342c 2d36 3038 \" d=\"M485.4,-608\n-00025080: 2e35 3743 3532 302e 3132 2c2d 3635 382e .57C520.12,-658.\n-00025090: 3238 2036 3538 2e34 332c 2d38 3435 2e33 28 658.43,-845.3\n-000250a0: 3920 3832 342c 2d39 3233 2e30 3520 3838 9 824,-923.05 88\n-000250b0: 342e 3239 2c2d 3935 312e 3333 2039 3631 4.29,-951.33 961\n-000250c0: 2e30 322c 2d39 3633 2e32 2031 3030 392e .02,-963.2 1009.\n-000250d0: 3539 2c2d 3936 382e 3131 222f 3e0a 3c70 59,-968.11\"/>.<p\n-000250e0: 6f6c 7967 6f6e 2066 696c 6c3d 2272 6564 olygon fill=\"red\n-000250f0: 2220 7374 726f 6b65 3d22 7265 6422 2070 \" stroke=\"red\" p\n-00025100: 6f69 6e74 733d 2231 3030 392e 3532 2c2d oints=\"1009.52,-\n-00025110: 3937 312e 3632 2031 3031 392e 3831 2c2d 971.62 1019.81,-\n-00025120: 3936 392e 3038 2031 3031 302e 3139 2c2d 969.08 1010.19,-\n-00025130: 3936 342e 3635 2031 3030 392e 3532 2c2d 964.65 1009.52,-\n-00025140: 3937 312e 3632 222f 3e0a 3c2f 673e 0a3c 971.62\"/>.</g>.<\n-00025150: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00025160: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n-00025170: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00025180: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-00025190: 3e0a 3c67 2069 643d 2265 6467 6532 3439 >.<g id=\"edge249\n-000251a0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000251b0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-000251c0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n-000251d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000251e0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-000251f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n-00025330: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n-000253a0: 5f73 7263 5f67 726f 6d61 6373 5f65 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_gmxpreprocess</\n+00017e10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00017e20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00017e30: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n+00017e40: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00017e50: 2064 3d22 4d38 3538 2e37 322c 2d37 3238 d=\"M858.72,-728\n+00017e60: 2e34 3943 3837 372e 3634 2c2d 3733 302e .49C877.64,-730.\n+00017e70: 3620 3839 392e 3032 2c2d 3733 322e 3832 6 899.02,-732.82\n+00017e80: 2039 3138 2e35 362c 2d37 3334 2e34 3420 918.56,-734.44 \n+00017e90: 3130 3538 2e35 332c 2d37 3436 2e30 3620 1058.53,-746.06 \n+00017ea0: 3134 3137 2e30 392c 2d37 3233 2e37 3820 1417.09,-723.78 \n+00017eb0: 3135 3439 2e35 362c 2d37 3730 2e34 3420 1549.56,-770.44 \n+00017ec0: 3136 3335 2e32 352c 2d38 3030 2e36 3220 1635.25,-800.62 \n+00017ed0: 3137 3131 2e34 352c 2d38 3335 2e39 3720 1711.45,-835.97 \n+00017ee0: 3136 3835 2e35 362c 2d39 3233 2e30 3520 1685.56,-923.05 \n+00017ef0: 3136 3833 2e31 382c 2d39 3331 2e30 3420 1683.18,-931.04 \n+00017f00: 3136 3531 2e31 352c 2d39 3830 2e38 3120 1651.15,-980.81 \n+00017f10: 3136 3434 2e35 362c 2d39 3835 2e39 3220 1644.56,-985.92 \n+00017f20: 3136 3139 2e32 372c 2d31 3030 352e 3534 1619.27,-1005.54\n+00017f30: 2031 3538 352e 3537 2c2d 3130 3137 2e34 1585.57,-1017.4\n+00017f40: 3620 3135 3537 2e32 342c 2d31 3032 342e 6 1557.24,-1024.\n+00017f50: 3537 222f 3e0a 3c70 6f6c 7967 6f6e 2066 57\"/>.<polygon f\n+00017f60: 696c 6c3d 2223 3263 6363 3238 2220 7374 ill=\"#2ccc28\" st\n+00017f70: 726f 6b65 3d22 2332 6363 6332 3822 2070 roke=\"#2ccc28\" p\n+00017f80: 6f69 6e74 733d 2231 3535 362e 3339 2c2d oints=\"1556.39,-\n+00017f90: 3130 3231 2e31 3720 3135 3437 2e34 372c 1021.17 1547.47,\n+00017fa0: 2d31 3032 362e 3838 2031 3535 382e 3031 -1026.88 1558.01\n+00017fb0: 2c2d 3130 3237 2e39 3820 3135 3536 2e33 ,-1027.98 1556.3\n+00017fc0: 392c 2d31 3032 312e 3137 222f 3e0a 3c2f 9,-1021.17\"/>.</\n+00017fd0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00017fe0: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n+00017ff0: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n+00018000: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00018010: 5f67 726f 6d61 6373 5f67 6d78 616e 6120 _gromacs_gmxana \n+00018020: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+00018030: 3437 2220 636c 6173 733d 2265 6467 6522 47\" class=\"edge\"\n+00018040: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00018050: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00018060: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+00018070: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018080: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n+00018090: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n+00018290: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+000182a0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+000182b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000182c0: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random....<\n+00018470: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00018480: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00018490: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+000184a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000184b0: 6d61 6373 5f63 6f6f 7264 696e 6174 6569 macs_coordinatei\n+000184c0: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->..modul\n+000184f0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00018500: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+00018510: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00018520: 7372 635f 6772 6f6d 6163 735f 636f 6f72 src_gromacs_coor\n+00018530: 6469 6e61 7465 696f 3c2f 7469 746c 653e dinateio\n+00018540: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n+000186b0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n+000186c0: 6a65 6374 6f72 7961 6e61 6c79 7369 7326 jectoryanalysis&\n+000186d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000186e0: 7263 5f67 726f 6d61 6373 5f61 6e61 6c79 rc_gromacs_analy\n+000186f0: 7369 7364 6174 613c 2f74 6974 6c65 3e0a sisdata.\n+00018700: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+000187f0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n+00018bd0: 0a3c 6720 6964 3d22 6564 6765 3134 3222 ..<\n+00018bf0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00018c00: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+00018c10: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+00018c20: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00018c30: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00018c40: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne...\n+00018d40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+00018d90: 6720 6964 3d22 6564 6765 3135 3422 2063 g id=\"edge154\" c\n+00018da0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00018dc0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00018dd0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+00018de0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018df0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n+00018e00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00018f20: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00018f90: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ..\n+00018fe0: 0a3c 6720 6964 3d22 6564 6765 3135 3522 ..<\n+00019000: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00019010: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00019020: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+00019030: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019040: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n+00019050: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mo\n+00019260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019270: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00019280: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00019290: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+000192a0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..\n+00019370: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n+000193e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00019710: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00019720: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00019730: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00019740: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec......module_src_gr\n+000198c0: 6f6d 6163 735f 6c69 7374 6564 5f66 6f72 omacs_listed_for\n+000198d0: 6365 7326 2334 353b 2667 743b 6d6f 6475 ces->modu\n+000198e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000198f0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......module\n+00019a80: 5f73 7263 5f67 726f 6d61 6373 5f6c 6973 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1891.45,-396.4\n+00019b70: 3120 3138 3833 2e33 322c 2d33 3839 2e36 1 1883.32,-389.6\n+00019b80: 3120 3138 3830 2e38 352c 2d33 3936 2e31 1 1880.85,-396.1\n+00019b90: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+00019ba0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00019bb0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n+00019bc0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00019bd0: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+00019be0: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+00019bf0: 6564 6765 3135 3122 2063 6c61 7373 3d22 edge151\" class=\"\n+00019c00: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00019c10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00019c20: 5f6c 6973 7465 645f 666f 7263 6573 2623 _listed_forces&#\n+00019c30: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00019c40: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00019c50: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......mod\n+00019e30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00019e40: 6c69 7374 6564 5f66 6f72 6365 7326 2334 listed_forces\n+00019e50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019e60: 5f67 726f 6d61 6373 5f74 6162 6c65 733c _gromacs_tables<\n+00019e70: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00019e80: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00019e90: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00019ea0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+00019eb0: 2220 643d 224d 3136 3931 2e36 352c 2d33 \" d=\"M1691.65,-3\n+00019ec0: 3339 2e39 3343 3135 3133 2e33 332c 2d33 39.93C1513.33,-3\n+00019ed0: 3239 2e35 3220 3839 392e 3937 2c2d 3239 29.52 899.97,-29\n+00019ee0: 332e 3733 2037 3337 2e33 382c 2d32 3834 3.73 737.38,-284\n+00019ef0: 2e32 3422 2f3e 0a3c 706f 6c79 676f 6e20 .24\"/>.<polygon \n+00019f00: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00019f10: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00019f20: 706f 696e 7473 3d22 3733 372e 3532 2c2d points=\"737.52,-\n+00019f30: 3238 302e 3734 2037 3237 2e33 332c 2d32 280.74 727.33,-2\n+00019f40: 3833 2e36 3520 3733 372e 3131 2c2d 3238 83.65 737.11,-28\n+00019f50: 372e 3733 2037 3337 2e35 322c 2d32 3830 7.73 737.52,-280\n+00019f60: 2e37 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .74\"/>.</g>.<!--\n+00019f70: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00019f80: 6163 735f 6666 7426 2334 353b 2667 743b acs_fft->\n+00019f90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00019fa0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n+00019fb0: 0a3c 6720 6964 3d22 6564 6765 3135 3822 .<g id=\"edge158\"\n+00019fc0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00019fd0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00019fe0: 5f67 726f 6d61 6373 5f66 6674 2623 3435 _gromacs_fft-\n+00019ff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a000: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+0001a010: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mo\n+0001a230: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a240: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n+0001a250: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n+0001a260: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils...\n+0001a3f0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+0001a460: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a470: 6373 5f66 696c 6569 6f26 2334 353b 2667 cs_fileio-&g\n+0001a480: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001a490: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+0001a4a0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001a4b0: 226e 6f6e 6522 2073 7472 6f6b 653d 2272 \"none\" stroke=\"r\n+0001a4c0: 6564 2220 643d 224d 3938 332e 3336 2c2d ed\" d=\"M983.36,-\n+0001a4d0: 3630 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01.31 1749.97,-9\n+0001a5c0: 3036 2e36 3722 2f3e 0a3c 706f 6c79 676f 06.67\"/>.<polygo\n+0001a5d0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n+0001a5e0: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n+0001a5f0: 3d22 3137 3439 2e38 332c 2d39 3130 2e31 =\"1749.83,-910.1\n+0001a600: 3720 3137 3539 2e39 372c 2d39 3037 2e30 7 1759.97,-907.0\n+0001a610: 3820 3137 3530 2e31 322c 2d39 3033 2e31 8 1750.12,-903.1\n+0001a620: 3720 3137 3439 2e38 332c 2d39 3130 2e31 7 1749.83,-910.1\n+0001a630: 3722 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 7\"/>.</g>.<!-- m\n+0001a640: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a650: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+0001a660: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001a670: 6163 735f 6d64 7370 616e 202d 2d3e 0a3c acs_mdspan -->.<\n+0001a680: 6720 6964 3d22 6564 6765 3135 3922 2063 g id=\"edge159\" c\n+0001a690: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001a6a0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001a6b0: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+0001a6c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001a6d0: 5f67 726f 6d61 6373 5f6d 6473 7061 6e3c _gromacs_mdspan<\n+0001a6e0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001a6f0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001a700: 3d22 2332 3832 6663 6322 2064 3d22 4d39 =\"#282fcc\" d=\"M9\n+0001a710: 3332 2e34 332c 2d35 3931 2e32 3443 3838 32.43,-591.24C88\n+0001a720: 342e 3831 2c2d 3538 352e 3139 2037 3836 4.81,-585.19 786\n+0001a730: 2e36 382c 2d35 3730 2e30 3620 3736 332e .68,-570.06 763.\n+0001a740: 3536 2c2d 3534 352e 3833 2037 3430 2c2d 56,-545.83 740,-\n+0001a750: 3532 312e 3134 2037 3438 2e35 362c 2d35 521.14 748.56,-5\n+0001a760: 3034 2e36 3520 3734 382e 3536 2c2d 3437 04.65 748.56,-47\n+0001a770: 302e 3533 2037 3438 2e35 362c 2d34 3730 0.53 748.56,-470\n+0001a780: 2e35 3320 3734 382e 3536 2c2d 3437 302e .53 748.56,-470.\n+0001a790: 3533 2037 3438 2e35 362c 2d34 3035 2e36 53 748.56,-405.6\n+0001a7a0: 3620 3734 382e 3536 2c2d 3334 342e 3031 6 748.56,-344.01\n+0001a7b0: 2037 3534 2e38 2c2d 3332 362e 3336 2037 754.8,-326.36 7\n+0001a7c0: 3336 2e35 362c 2d32 3637 2e34 3820 3731 36.56,-267.48 71\n+0001a7d0: 372e 3537 2c2d 3230 362e 3137 2037 3030 7.57,-206.17 700\n+0001a7e0: 2e35 352c 2d31 3935 2e35 3420 3636 352e .55,-195.54 665.\n+0001a7f0: 3536 2c2d 3134 312e 3734 2036 3539 2e33 56,-141.74 659.3\n+0001a800: 312c 2d31 3332 2e31 3220 3635 312e 3831 1,-132.12 651.81\n+0001a810: 2c2d 3132 312e 3837 2036 3435 2e32 392c ,-121.87 645.29,\n+0001a820: 2d31 3133 2e32 3922 2f3e 0a3c 706f 6c79 -113.29\"/>.<poly\n+0001a830: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0001a840: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0001a850: 6363 2220 706f 696e 7473 3d22 3634 382e cc\" points=\"648.\n+0001a860: 3035 2c2d 3131 312e 3133 2036 3339 2e31 05,-111.13 639.1\n+0001a870: 372c 2d31 3035 2e33 3520 3634 322e 352c 7,-105.35 642.5,\n+0001a880: 2d31 3135 2e34 2036 3438 2e30 352c 2d31 -115.4 648.05,-1\n+0001a890: 3131 2e31 3322 2f3e 0a3c 2f67 3e0a 3c21 11.13\"/>.</g>.<!\n+0001a8a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001a8b0: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+0001a8c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a8d0: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+0001a8e0: 6c69 7479 202d 2d3e 0a3c 6720 6964 3d22 lity -->.<g id=\"\n+0001a8f0: 6564 6765 3136 3222 2063 6c61 7373 3d22 edge162\" class=\"\n+0001a900: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001a910: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001a920: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n+0001a930: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001a940: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n+0001a950: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001a960: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001a970: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001a980: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0001a990: 2220 643d 224d 3938 332e 3333 2c2d 3630 \" d=\"M983.33,-60\n+0001a9a0: 302e 3632 4331 3031 392e 3038 2c2d 3630 0.62C1019.08,-60\n+0001a9b0: 382e 3136 2031 3038 352e 3932 2c2d 3632 8.16 1085.92,-62\n+0001a9c0: 342e 3735 2031 3134 302e 3536 2c2d 3634 4.75 1140.56,-64\n+0001a9d0: 342e 3720 3131 3637 2e36 322c 2d36 3534 4.7 1167.62,-654\n+0001a9e0: 2e35 3920 3131 3731 2e39 362c 2d36 3633 .59 1171.96,-663\n+0001a9f0: 2e33 3120 3131 3939 2e35 362c 2d36 3731 .31 1199.56,-671\n+0001aa00: 2e35 3720 3132 3833 2e39 332c 2d36 3936 .57 1283.93,-696\n+0001aa10: 2e38 3320 3133 3835 2e33 342c 2d37 3039 .83 1385.34,-709\n+0001aa20: 2e34 3820 3134 3436 2e36 342c 2d37 3135 .48 1446.64,-715\n+0001aa30: 2e33 3922 2f3e 0a3c 706f 6c79 676f 6e20 .39\"/>.<polygon \n+0001aa40: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0001aa50: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001aa60: 706f 696e 7473 3d22 3134 3436 2e35 392c points=\"1446.59,\n+0001aa70: 2d37 3138 2e39 2031 3435 362e 3837 2c2d -718.9 1456.87,-\n+0001aa80: 3731 362e 3335 2031 3434 372e 3234 2c2d 716.35 1447.24,-\n+0001aa90: 3731 312e 3933 2031 3434 362e 3539 2c2d 711.93 1446.59,-\n+0001aaa0: 3731 382e 3922 2f3e 0a3c 2f67 3e0a 3c21 718.9\"/>.</g>.<!\n+0001aab0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001aac0: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+0001aad0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001aae0: 6772 6f6d 6163 735f 636f 6d70 6174 202d gromacs_compat -\n+0001aaf0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3136 ->.<g id=\"edge16\n+0001ab00: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n+0001ab10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001ab20: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0001ab30: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+0001ab40: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0001ab50: 7061 743c 2f74 6974 6c65 3e0a 3c70 6174 pat....<\n+0001ac80: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001ac90: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+0001aca0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001acb0: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n+0001acc0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->..module_\n+0001acf0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+0001ad00: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+0001ad10: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001ad20: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib..\n+0001aeb0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n+0001af00: 6720 6964 3d22 6564 6765 3136 3622 2063 g id=\"edge166\" c\n+0001af10: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001af30: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+0001af40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001af50: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+0001af60: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory.\n+0001afd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0001b040: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+0001b0c0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0001b0d0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+0001b0e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001b0f0: 6f64 756c 6172 7369 6d75 6c61 746f 723c odularsimulator<\n+0001b100: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001b110: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001b120: 3d22 7265 6422 2064 3d22 4d39 3834 2e35 =\"red\" d=\"M984.5\n+0001b130: 352c 2d35 3931 2e30 3843 3130 3637 2e34 5,-591.08C1067.4\n+0001b140: 332c 2d35 3831 2e35 3720 3133 3236 2e34 3,-581.57 1326.4\n+0001b150: 382c 2d35 3533 2e32 3720 3134 3439 2e39 8,-553.27 1449.9\n+0001b160: 342c 2d35 3430 2e31 3822 2f3e 0a3c 706f 4,-540.18\"/>.<po\n+0001b170: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+0001b180: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+0001b190: 696e 7473 3d22 3134 3530 2e34 352c 2d35 ints=\"1450.45,-5\n+0001b1a0: 3433 2e36 3420 3134 3630 2e30 322c 2d35 43.64 1460.02,-5\n+0001b1b0: 3339 2e31 3120 3134 3439 2e37 312c 2d35 39.11 1449.71,-5\n+0001b1c0: 3336 2e36 3820 3134 3530 2e34 352c 2d35 36.68 1450.45,-5\n+0001b1d0: 3433 2e36 3422 2f3e 0a3c 2f67 3e0a 3c21 43.64\"/>.</g>.<!\n+0001b1e0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001b1f0: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+0001b200: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001b210: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0001b220: 666f 7263 6573 5f61 7768 202d 2d3e 0a3c forces_awh -->.<\n+0001b230: 6720 6964 3d22 6564 6765 3136 3522 2063 g id=\"edge165\" c\n+0001b240: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001b250: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001b260: 726f 6d61 6373 5f66 696c 6569 6f26 2334 romacs_fileio\n+0001b270: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001b280: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+0001b290: 5f66 6f72 6365 735f 6177 683c 2f74 6974 _forces_awh</tit\n+0001b2a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001b2b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001b2c0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0001b2d0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0001b2e0: 224d 3933 312e 3633 2c2d 3539 362e 3834 \"M931.63,-596.84\n+0001b2f0: 4338 3639 2e33 312c 2d35 3938 2e38 2037 C869.31,-598.8 7\n+0001b300: 3139 2e30 312c 2d36 3037 2e33 3420 3638 19.01,-607.34 68\n+0001b310: 372e 3536 2c2d 3634 342e 3720 3635 372e 7.56,-644.7 657.\n+0001b320: 3837 2c2d 3637 392e 3936 2037 3030 2e32 87,-679.96 700.2\n+0001b330: 332c 2d37 3130 2e34 2037 3339 2e35 362c 3,-710.4 739.56,\n+0001b340: 2d37 3334 2e34 3420 3830 322e 3836 2c2d -734.44 802.86,-\n+0001b350: 3737 332e 3133 2038 3330 2e37 392c 2d37 773.13 830.79,-7\n+0001b360: 3531 2e36 3620 3930 322e 3536 2c2d 3737 51.66 902.56,-77\n+0001b370: 302e 3434 2039 3033 2e36 342c 2d37 3730 0.44 903.64,-770\n+0001b380: 2e37 3220 3930 342e 3733 2c2d 3737 312e .72 904.73,-771.\n+0001b390: 3032 2039 3035 2e38 332c 2d37 3731 2e33 02 905.83,-771.3\n+0001b3a0: 3122 2f3e 0a3c 706f 6c79 676f 6e20 6669 1\"/>.<polygon fi\n+0001b3b0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0001b3c0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0001b3d0: 696e 7473 3d22 3930 352e 3136 2c2d 3737 ints=\"905.16,-77\n+0001b3e0: 342e 3736 2039 3135 2e37 342c 2d37 3734 4.76 915.74,-774\n+0001b3f0: 2e31 3620 3930 372e 3039 2c2d 3736 382e .16 907.09,-768.\n+0001b400: 3033 2039 3035 2e31 362c 2d37 3734 2e37 03 905.16,-774.7\n+0001b410: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+0001b420: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b430: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+0001b440: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001b450: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+0001b460: 7761 7265 202d 2d3e 0a3c 6720 6964 3d22 ware -->.<g id=\"\n+0001b470: 6564 6765 3137 3022 2063 6c61 7373 3d22 edge170\" class=\"\n+0001b480: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001b490: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b4a0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001b4b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001b4c0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+0001b4d0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are.....<\n+0001b6d0: 6720 6964 3d22 6564 6765 3137 3522 2063 g id=\"edge175\" c\n+0001b6e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001b700: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+0001b710: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+0001b720: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001b730: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+0001b740: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001b750: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001b760: 2220 643d 224d 3233 3433 2e39 2c2d 3136 \" d=\"M2343.9,-16\n+0001b770: 382e 3732 4332 3334 382e 3134 2c2d 3138 8.72C2348.14,-18\n+0001b780: 332e 3920 3233 3536 2e30 342c 2d32 3130 3.9 2356.04,-210\n+0001b790: 2e30 3920 3233 3635 2e35 362c 2d32 3331 .09 2365.56,-231\n+0001b7a0: 2e34 3820 3234 3131 2e32 362c 2d33 3334 .48 2411.26,-334\n+0001b7b0: 2e31 3220 3234 3532 2e35 352c 2d33 3437 .12 2452.55,-347\n+0001b7c0: 2e35 3520 3234 3831 2e35 362c 2d34 3536 .55 2481.56,-456\n+0001b7d0: 2e30 3920 3234 3834 2e37 352c 2d34 3638 .09 2484.75,-468\n+0001b7e0: 2e30 3320 3234 3939 2e33 332c 2d35 3237 .03 2499.33,-527\n+0001b7f0: 2e31 3120 3234 3931 2e35 362c 2d35 3435 .11 2491.56,-545\n+0001b800: 2e38 3320 3234 3736 2e34 2c2d 3538 322e .83 2476.4,-582.\n+0001b810: 3337 2032 3435 392e 3934 2c2d 3538 342e 37 2459.94,-584.\n+0001b820: 3631 2032 3432 382e 3536 2c2d 3630 382e 61 2428.56,-608.\n+0001b830: 3720 3232 3834 2e33 352c 2d37 3139 2e34 7 2284.35,-719.4\n+0001b840: 3220 3232 3431 2e35 322c 2d37 3531 2e35 2 2241.52,-751.5\n+0001b850: 3520 3230 3635 2e35 362c 2d37 3937 2e33 5 2065.56,-797.3\n+0001b860: 3120 3139 3038 2e35 382c 2d38 3338 2e31 1 1908.58,-838.1\n+0001b870: 3420 3137 3133 2e38 342c 2d38 3434 2e38 4 1713.84,-844.8\n+0001b880: 3120 3136 3332 2e33 2c2d 3834 352e 3732 1 1632.3,-845.72\n+0001b890: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.....\n+0001b980: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001b990: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+0001b9a0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0001b9b0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0001b9c0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module_\n+0001bbc0: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0001bbd0: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+0001bbe0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001bbf0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+0001bc00: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n+0001bc10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0001bcc0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001bcd0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0001bce0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0001bcf0: 3137 3137 2e32 362c 2d39 332e 3137 2031 1717.26,-93.17 1\n+0001bd00: 3730 372e 312c 2d39 362e 3138 2031 3731 707.1,-96.18 171\n+0001bd10: 362e 3932 2c2d 3130 302e 3136 2031 3731 6.92,-100.16 171\n+0001bd20: 372e 3236 2c2d 3933 2e31 3722 2f3e 0a3c 7.26,-93.17\"/>.<\n+0001bd30: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+0001bdb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001bdc0: 6173 6b61 7373 6967 6e6d 656e 7426 2334 askassignment\n+0001bdd0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001bde0: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n+0001bdf0: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility...\n+0001bfe0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n+0001c060: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n+0001c070: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n+0001c080: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c090: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+0001c0a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001c0b0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0001c0c0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0001c0d0: 6179 3d22 352c 3222 2064 3d22 4d32 3330 ay=\"5,2\" d=\"M230\n+0001c0e0: 342e 342c 2d31 3636 2e30 3743 3232 3531 4.4,-166.07C2251\n+0001c0f0: 2e36 372c 2d31 3830 2e34 3920 3231 3530 .67,-180.49 2150\n+0001c100: 2e35 392c 2d32 3038 2e31 2032 3036 342e .59,-208.1 2064.\n+0001c110: 3536 2c2d 3233 312e 3438 2032 3031 352e 56,-231.48 2015.\n+0001c120: 3732 2c2d 3234 342e 3735 2031 3935 392e 72,-244.75 1959.\n+0001c130: 3335 2c2d 3235 392e 3939 2031 3932 332e 35,-259.99 1923.\n+0001c140: 3133 2c2d 3236 392e 3737 222f 3e0a 3c70 13,-269.77\"/>..\n+0001c1c0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0001c240: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c250: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+0001c260: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001c270: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+0001c280: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n+0001c290: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..<\n+0001c340: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0001c350: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0001c360: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0001c370: 3137 3836 2e31 322c 2d33 3238 2e35 3620 1786.12,-328.56 \n+0001c380: 3137 3737 2e32 2c2d 3333 342e 3239 2031 1777.2,-334.29 1\n+0001c390: 3738 372e 3734 2c2d 3333 352e 3337 2031 787.74,-335.37 1\n+0001c3a0: 3738 362e 3132 2c2d 3332 382e 3536 222f 786.12,-328.56\"/\n+0001c3b0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_\n+0001c430: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+0001c440: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+0001c450: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001c460: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib</ti\n+0001c470: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001c480: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001c490: 6266 6266 6266 2220 643d 224d 3233 3235 bfbfbf\" d=\"M2325\n+0001c4a0: 2e34 322c 2d31 3432 2e30 3643 3233 3033 .42,-142.06C2303\n+0001c4b0: 2e33 322c 2d31 3235 2e30 3520 3232 3630 .32,-125.05 2260\n+0001c4c0: 2e33 312c 2d39 342e 3433 2032 3231 382e .31,-94.43 2218.\n+0001c4d0: 3536 2c2d 3738 2e38 3720 3231 3330 2e37 56,-78.87 2130.7\n+0001c4e0: 312c 2d34 362e 3132 2032 3032 302e 3139 1,-46.12 2020.19\n+0001c4f0: 2c2d 3335 2e35 2031 3936 312e 322c 2d33 ,-35.5 1961.2,-3\n+0001c500: 322e 3036 222f 3e0a 3c70 6f6c 7967 6f6e 2.06\"/>.<polygon\n+0001c510: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001c520: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001c530: 2070 6f69 6e74 733d 2231 3936 312e 3332 points=\"1961.32\n+0001c540: 2c2d 3238 2e35 3620 3139 3531 2e31 342c ,-28.56 1951.14,\n+0001c550: 2d33 312e 3532 2031 3936 302e 3934 2c2d -31.52 1960.94,-\n+0001c560: 3335 2e35 3520 3139 3631 2e33 322c 2d32 35.55 1961.32,-2\n+0001c570: 382e 3536 222f 3e0a 3c2f 673e 0a3c 212d 8.56\"/>.</g>.<!-\n+0001c580: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001c590: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0001c5a0: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+0001c5b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001c5c0: 7075 5f75 7469 6c73 202d 2d3e 0a3c 6720 pu_utils -->.<g \n+0001c5d0: 6964 3d22 6564 6765 3137 3722 2063 6c61 id=\"edge177\" cla\n+0001c5e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001c5f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001c600: 6d61 6373 5f74 6173 6b61 7373 6967 6e6d macs_taskassignm\n+0001c610: 656e 7426 2334 353b 2667 743b 6d6f 6475 ent->modu\n+0001c620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001c630: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+0001c640: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0001c750: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module\n+0001c840: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+0001c850: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+0001c860: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001c870: 726f 6d61 6373 5f65 7761 6c64 3c2f 7469 romacs_ewald</ti\n+0001c880: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001c890: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001c8a0: 3238 3266 6363 2220 643d 224d 3233 3530 282fcc\" d=\"M2350\n+0001c8b0: 2e34 392c 2d31 3638 2e36 4332 3336 312e .49,-168.6C2361.\n+0001c8c0: 3431 2c2d 3138 332e 3839 2032 3337 362e 41,-183.89 2376.\n+0001c8d0: 3131 2c2d 3231 302e 3432 2032 3336 352e 11,-210.42 2365.\n+0001c8e0: 3536 2c2d 3233 312e 3438 2032 3330 342e 56,-231.48 2304.\n+0001c8f0: 3338 2c2d 3335 332e 3633 2032 3134 372e 38,-353.63 2147.\n+0001c900: 3036 2c2d 3432 392e 3031 2032 3037 392e 06,-429.01 2079.\n+0001c910: 3831 2c2d 3435 362e 3622 2f3e 0a3c 706f 81,-456.6\"/>.<po\n+0001c920: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001c930: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001c940: 3266 6363 2220 706f 696e 7473 3d22 3230 2fcc\" points=\"20\n+0001c950: 3738 2e31 362c 2d34 3533 2e34 3920 3230 78.16,-453.49 20\n+0001c960: 3730 2e31 392c 2d34 3630 2e34 3720 3230 70.19,-460.47 20\n+0001c970: 3830 2e37 372c 2d34 3539 2e39 3920 3230 80.77,-459.99 20\n+0001c980: 3738 2e31 362c 2d34 3533 2e34 3922 2f3e 78.16,-453.49\"/>\n+0001c990: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001c9a0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001c9b0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0001c9c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c9d0: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->.<g id=\n+0001c9e0: 2265 6467 6531 3831 2220 636c 6173 733d \"edge181\" class=\n+0001c9f0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001ca00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ca10: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+0001ca20: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001ca30: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+0001ca40: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001ca50: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+0001ca60: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+0001ca70: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001ca80: 3139 3531 2e34 342c 2d33 302e 3131 4332 1951.44,-30.11C2\n+0001ca90: 3032 302e 3635 2c2d 3330 2e31 3320 3231 020.65,-30.13 21\n+0001caa0: 3837 2e39 372c 2d33 342e 3831 2032 3331 87.97,-34.81 231\n+0001cab0: 382e 3536 2c2d 3738 2e38 3720 3235 3435 8.56,-78.87 2545\n+0001cac0: 2e31 332c 2d31 3535 2e33 3120 3236 3039 .13,-155.31 2609\n+0001cad0: 2e35 362c 2d32 3932 2e32 3820 3236 3039 .56,-292.28 2609\n+0001cae0: 2e35 362c 2d35 3331 2e34 2032 3630 392e .56,-531.4 2609.\n+0001caf0: 3536 2c2d 3635 392e 3134 2032 3630 392e 56,-659.14 2609.\n+0001cb00: 3536 2c2d 3635 392e 3134 2032 3630 392e 56,-659.14 2609.\n+0001cb10: 3536 2c2d 3635 392e 3134 2032 3630 392e 56,-659.14 2609.\n+0001cb20: 3536 2c2d 3838 332e 3237 2032 3334 342e 56,-883.27 2344.\n+0001cb30: 3837 2c2d 3735 362e 3037 2032 3132 342e 87,-756.07 2124.\n+0001cb40: 3536 2c2d 3739 372e 3331 2031 3934 322e 56,-797.31 1942.\n+0001cb50: 3533 2c2d 3833 312e 3338 2031 3732 302e 53,-831.38 1720.\n+0001cb60: 3038 2c2d 3834 312e 3839 2031 3633 312e 08,-841.89 1631.\n+0001cb70: 3935 2c2d 3834 342e 3737 222f 3e0a 3c70 95,-844.77\"/>.<p\n+0001cb80: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n+0001cb90: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n+0001cba0: 6363 6332 3822 2070 6f69 6e74 733d 2231 ccc28\" points=\"1\n+0001cbb0: 3633 312e 3737 2c2d 3834 312e 3237 2031 631.77,-841.27 1\n+0001cbc0: 3632 312e 3838 2c2d 3834 352e 3038 2031 621.88,-845.08 1\n+0001cbd0: 3633 312e 3939 2c2d 3834 382e 3237 2031 631.99,-848.27 1\n+0001cbe0: 3633 312e 3737 2c2d 3834 312e 3237 222f 631.77,-841.27\"/\n+0001cbf0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001cc00: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+0001cc10: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+0001cc20: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001cc30: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n+0001cc40: 6964 3d22 6564 6765 3137 3922 2063 6c61 id=\"edge179\" cla\n+0001cc50: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001cc60: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001cc70: 6d61 6373 5f67 6d78 6c69 6226 2334 353b macs_gmxlib-\n+0001cc80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001cc90: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+0001cca0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001ccb0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001ccc0: 2223 6266 6266 6266 2220 643d 224d 3139 \"#bfbfbf\" d=\"M19\n+0001ccd0: 3531 2e33 342c 2d33 302e 3633 4332 3038 51.34,-30.63C208\n+0001cce0: 302e 3938 2c2d 3331 2e36 3920 3235 3635 0.98,-31.69 2565\n+0001ccf0: 2e36 342c 2d33 382e 3334 2032 3631 392e .64,-38.34 2619.\n+0001cd00: 3536 2c2d 3738 2e38 3720 3237 3232 2e33 56,-78.87 2722.3\n+0001cd10: 352c 2d31 3536 2e31 3320 3236 3430 2e35 5,-156.13 2640.5\n+0001cd20: 362c 2d35 3238 2e35 3520 3236 3430 2e35 6,-528.55 2640.5\n+0001cd30: 362c 2d36 3537 2e31 3420 3236 3430 2e35 6,-657.14 2640.5\n+0001cd40: 362c 2d37 3834 2e38 3820 3236 3430 2e35 6,-784.88 2640.5\n+0001cd50: 362c 2d37 3834 2e38 3820 3236 3430 2e35 6,-784.88 2640.5\n+0001cd60: 362c 2d37 3834 2e38 3820 3236 3430 2e35 6,-784.88 2640.5\n+0001cd70: 362c 2d38 3331 2e31 3820 3236 3130 2e35 6,-831.18 2610.5\n+0001cd80: 352c 2d38 3430 2e36 3620 3235 3638 2e35 5,-840.66 2568.5\n+0001cd90: 362c 2d38 3630 2e31 3820 3235 3033 2e32 6,-860.18 2503.2\n+0001cda0: 352c 2d38 3930 2e35 3520 3230 3034 2e36 5,-890.55 2004.6\n+0001cdb0: 372c 2d39 3034 2e30 3620 3138 3435 2e39 7,-904.06 1845.9\n+0001cdc0: 342c 2d39 3037 2e36 3222 2f3e 0a3c 706f 4,-907.62\"/>.<po\n+0001cdd0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+0001cde0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+0001cdf0: 6266 6266 2220 706f 696e 7473 3d22 3138 bfbf\" points=\"18\n+0001ce00: 3435 2e34 362c 2d39 3034 2e31 3320 3138 45.46,-904.13 18\n+0001ce10: 3335 2e35 342c 2d39 3037 2e38 3520 3138 35.54,-907.85 18\n+0001ce20: 3435 2e36 322c 2d39 3131 2e31 3220 3138 45.62,-911.12 18\n+0001ce30: 3435 2e34 362c 2d39 3034 2e31 3322 2f3e 45.46,-904.13\"/>\n+0001ce40: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0001ce50: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001ce60: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+0001ce70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ce80: 7461 626c 6573 202d 2d3e 0a3c 6720 6964 tables -->.<g id\n+0001ce90: 3d22 6564 6765 3138 3222 2063 6c61 7373 =\"edge182\" class\n+0001cea0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001ceb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001cec0: 6373 5f67 6d78 6c69 6226 2334 353b 2667 cs_gmxlib-&g\n+0001ced0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001cee0: 6d61 6373 5f74 6162 6c65 733c 2f74 6974 macs_tables</tit\n+0001cef0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001cf00: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001cf10: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+0001cf20: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0001cf30: 224d 3139 3531 2e34 372c 2d32 392e 3835 \"M1951.47,-29.85\n+0001cf40: 4332 3033 352e 3537 2c2d 3239 2e32 3420 C2035.57,-29.24 \n+0001cf50: 3232 3532 2e31 392c 2d33 342e 3336 2032 2252.19,-34.36 2\n+0001cf60: 3138 332e 3536 2c2d 3130 352e 3734 2032 183.56,-105.74 2\n+0001cf70: 3134 382e 332c 2d31 3432 2e34 3120 3133 148.3,-142.41 13\n+0001cf80: 3138 2e39 352c 2d31 3334 2e37 3220 3132 18.95,-134.72 12\n+0001cf90: 3638 2e35 362c 2d31 3431 2e37 3420 3130 68.56,-141.74 10\n+0001cfa0: 3630 2e36 312c 2d31 3730 2e37 2038 3137 60.61,-170.7 817\n+0001cfb0: 2e38 392c 2d32 3432 2e34 3320 3733 302e .89,-242.43 730.\n+0001cfc0: 3737 2c2d 3236 392e 3432 222f 3e0a 3c70 77,-269.42\"/>.<p\n+0001cfd0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3263 olygon fill=\"#2c\n+0001cfe0: 6363 3238 2220 7374 726f 6b65 3d22 2332 cc28\" stroke=\"#2\n+0001cff0: 6363 6332 3822 2070 6f69 6e74 733d 2237 ccc28\" points=\"7\n+0001d000: 3239 2e36 382c 2d32 3636 2e30 3920 3732 29.68,-266.09 72\n+0001d010: 312e 3137 2c2d 3237 322e 3431 2037 3331 1.17,-272.41 731\n+0001d020: 2e37 362c 2d32 3732 2e37 3820 3732 392e .76,-272.78 729.\n+0001d030: 3638 2c2d 3236 362e 3039 222f 3e0a 3c2f 68,-266.09\"/>.</\n+0001d040: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001d050: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0001d060: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n+0001d070: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0001d080: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720 mandline -->.<g \n+0001d090: 6964 3d22 6564 6765 3137 3822 2063 6c61 id=\"edge178\" cla\n+0001d0a0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001d0b0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001d0c0: 6d61 6373 5f67 6d78 6c69 6226 2334 353b macs_gmxlib-\n+0001d0d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001d0e0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+0001d0f0: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne....\n+0001d270: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_\n+0001d2e0: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+0001d2f0: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+0001d300: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0001d310: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald.\n+0001d450: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+0001d530: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001d540: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n+0001d550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d560: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n+0001d570: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+0001d730: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0001d7a0: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+0001d7b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001d7c0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0001d7d0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......m\n+0001da10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001da20: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+0001da30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001da40: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+0001da50: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001da60: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001da70: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001da80: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001da90: 643d 224d 3130 3030 2e31 2c2d 3136 382e d=\"M1000.1,-168.\n+0001daa0: 3437 4331 3032 392e 3932 2c2d 3233 342e 47C1029.92,-234.\n+0001dab0: 3233 2031 3137 332e 3034 2c2d 3534 332e 23 1173.04,-543.\n+0001dac0: 3820 3132 3533 2e35 362c 2d36 3038 2e37 8 1253.56,-608.7\n+0001dad0: 2031 3239 342e 3933 2c2d 3634 322e 3034 1294.93,-642.04\n+0001dae0: 2031 3332 312e 342c 2d36 3138 2e33 3920 1321.4,-618.39 \n+0001daf0: 3133 3637 2e35 362c 2d36 3434 2e37 2031 1367.56,-644.7 1\n+0001db00: 3338 332e 3131 2c2d 3635 332e 3537 2031 383.11,-653.57 1\n+0001db10: 3338 322e 3632 2c2d 3636 312e 3731 2031 382.62,-661.71 1\n+0001db20: 3339 372e 3536 2c2d 3637 312e 3537 2031 397.56,-671.57 1\n+0001db30: 3431 382e 3636 2c2d 3638 352e 3439 2031 418.66,-685.49 1\n+0001db40: 3434 342e 342c 2d36 3937 2e35 3120 3134 444.4,-697.51 14\n+0001db50: 3634 2e39 392c 2d37 3036 2e30 3922 2f3e 64.99,-706.09\"/>\n+0001db60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+0001db70: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+0001db80: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+0001db90: 3d22 3134 3633 2e37 362c 2d37 3039 2e33 =\"1463.76,-709.3\n+0001dba0: 3820 3134 3734 2e33 352c 2d37 3039 2e39 8 1474.35,-709.9\n+0001dbb0: 3120 3134 3636 2e34 312c 2d37 3032 2e38 1 1466.41,-702.8\n+0001dbc0: 3920 3134 3633 2e37 362c 2d37 3039 2e33 9 1463.76,-709.3\n+0001dbd0: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>.</g>.<!-- m\n+0001dbe0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001dbf0: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+0001dc00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001dc10: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069 _domdec -->.<g i\n+0001dc20: 643d 2265 6467 6531 3834 2220 636c 6173 d=\"edge184\" clas\n+0001dc30: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001dc40: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001dc50: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n+0001dc60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001dc70: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+0001dc80: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001dc90: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+0001dca0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+0001dcb0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+0001dcc0: 3130 3137 2e36 362c 2d31 3632 2e32 3843 1017.66,-162.28C\n+0001dcd0: 3130 3234 2e37 382c 2d31 3634 2e36 3620 1024.78,-164.66 \n+0001dce0: 3130 3332 2e34 332c 2d31 3637 2e31 3620 1032.43,-167.16 \n+0001dcf0: 3130 3339 2e35 362c 2d31 3638 2e36 3120 1039.56,-168.61 \n+0001dd00: 3132 3636 2e35 372c 2d32 3134 2e38 3320 1266.57,-214.83 \n+0001dd10: 3133 3330 2e34 372c 2d31 3730 2e31 3420 1330.47,-170.14 \n+0001dd20: 3135 3539 2e35 362c 2d32 3034 2e36 3120 1559.56,-204.61 \n+0001dd30: 3136 3131 2e34 362c 2d32 3132 2e34 3220 1611.46,-212.42 \n+0001dd40: 3136 3233 2e33 332c 2d32 3230 2e30 3720 1623.33,-220.07 \n+0001dd50: 3136 3734 2e35 362c 2d32 3331 2e34 3820 1674.56,-231.48 \n+0001dd60: 3137 3439 2e39 342c 2d32 3438 2e32 3720 1749.94,-248.27 \n+0001dd70: 3137 3639 2e33 2c2d 3235 302e 3136 2031 1769.3,-250.16 1\n+0001dd80: 3834 342e 3536 2c2d 3236 372e 3438 2031 844.56,-267.48 1\n+0001dd90: 3834 362e 3439 2c2d 3236 372e 3932 2031 846.49,-267.92 1\n+0001dda0: 3834 382e 3436 2c2d 3236 382e 3338 2031 848.46,-268.38 1\n+0001ddb0: 3835 302e 3434 2c2d 3236 382e 3835 222f 850.44,-268.85\"/\n+0001ddc0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0001ddd0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+0001dde0: 3d22 2332 3832 6663 6322 2070 6f69 6e74 =\"#282fcc\" point\n+0001ddf0: 733d 2231 3834 392e 3739 2c2d 3237 322e s=\"1849.79,-272.\n+0001de00: 3320 3138 3630 2e33 332c 2d32 3731 2e32 3 1860.33,-271.2\n+0001de10: 3620 3138 3531 2e34 342c 2d32 3635 2e35 6 1851.44,-265.5\n+0001de20: 2031 3834 392e 3739 2c2d 3237 322e 3322 1849.79,-272.3\"\n+0001de30: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001de40: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001de50: 696d 6426 2334 353b 2667 743b 6d6f 6475 imd->modu\n+0001de60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+0001de70: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n+0001de80: 2265 6467 6531 3835 2220 636c 6173 733d \"edge185\" class=\n+0001de90: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+0001dea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001deb0: 735f 696d 6426 2334 353b 2667 743b 6d6f s_imd->mo\n+0001dec0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001ded0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0001dee0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...\n+0001e040: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modu\n+0001e260: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n+0001e270: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n+0001e280: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n+0001e290: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n+0001e2a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0001e2b0: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n+0001e2c0: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n+0001e2d0: 7261 793d 2235 2c32 2220 643d 224d 3939 ray=\"5,2\" d=\"M99\n+0001e2e0: 372e 3531 2c2d 3136 382e 3735 4331 3031 7.51,-168.75C101\n+0001e2f0: 332e 3139 2c2d 3233 342e 3635 2031 3038 3.19,-234.65 108\n+0001e300: 382e 342c 2d35 3339 2e36 3620 3131 3533 8.4,-539.66 1153\n+0001e310: 2e35 362c 2d36 3038 2e37 2031 3136 382e .56,-608.7 1168.\n+0001e320: 3731 2c2d 3632 342e 3736 2031 3139 302e 71,-624.76 1190.\n+0001e330: 3334 2c2d 3633 362e 3232 2031 3230 392e 34,-636.22 1209.\n+0001e340: 3432 2c2d 3634 332e 3936 222f 3e0a 3c70 42,-643.96\"/>.<p\n+0001e350: 6f6c 7967 6f6e 2066 696c 6c3d 2262 6c61 olygon fill=\"bla\n+0001e360: 636b 2220 7374 726f 6b65 3d22 626c 6163 ck\" stroke=\"blac\n+0001e370: 6b22 2070 6f69 6e74 733d 2231 3230 382e k\" points=\"1208.\n+0001e380: 3233 2c2d 3634 372e 3235 2031 3231 382e 23,-647.25 1218.\n+0001e390: 3833 2c2d 3634 372e 3536 2031 3231 302e 83,-647.56 1210.\n+0001e3a0: 3734 2c2d 3634 302e 3731 2031 3230 382e 74,-640.71 1208.\n+0001e3b0: 3233 2c2d 3634 372e 3235 222f 3e0a 3c2f 23,-647.25\"/>.</\n+0001e3c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001e3d0: 7263 5f67 726f 6d61 6373 5f73 7761 7026 rc_gromacs_swap&\n+0001e3e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001e3f0: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+0001e400: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001e410: 3139 3322 2063 6c61 7373 3d22 6564 6765 193\" class=\"edge\n+0001e420: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001e430: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n+0001e440: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+0001e450: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+0001e460: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib...<\n+0001e620: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+0001e690: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e6a0: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+0001e6b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001e6c0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0001e6d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+0001e890: 6163 735f 7377 6170 2623 3435 3b26 6774 acs_swap->\n+0001e8a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001e8b0: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0001e8c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...\n+0001ea50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0001eac0: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+0001ead0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001eae0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001eaf0: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec...\n+0001ebf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0001ec60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ec70: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+0001ec80: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001ec90: 6669 6c65 696f 3c2f 7469 746c 653e 0a3c fileio.<\n+0001eca0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001ecb0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001ecc0: 2220 643d 224d 3232 3333 2e36 2c2d 3136 \" d=\"M2233.6,-16\n+0001ecd0: 382e 3832 4332 3233 312e 3939 2c2d 3139 8.82C2231.99,-19\n+0001ece0: 332e 3233 2032 3232 392e 3436 2c2d 3234 3.23 2229.46,-24\n+0001ecf0: 382e 3435 2032 3233 352e 3536 2c2d 3239 8.45 2235.56,-29\n+0001ed00: 342e 3335 2032 3234 312e 3535 2c2d 3333 4.35 2241.55,-33\n+0001ed10: 392e 3339 2032 3235 352e 3733 2c2d 3334 9.39 2255.73,-34\n+0001ed20: 382e 3136 2032 3236 312e 3536 2c2d 3339 8.16 2261.56,-39\n+0001ed30: 332e 3232 2032 3236 332e 3039 2c2d 3430 3.22 2263.09,-40\n+0001ed40: 352e 3036 2032 3236 382e 3433 2c2d 3431 5.06 2268.43,-41\n+0001ed50: 302e 3332 2032 3236 312e 3536 2c2d 3432 0.32 2261.56,-42\n+0001ed60: 302e 3039 2032 3231 342e 3032 2c2d 3438 0.09 2214.02,-48\n+0001ed70: 372e 3639 2032 3136 362e 3932 2c2d 3436 7.69 2166.92,-46\n+0001ed80: 332e 3638 2032 3038 362e 3536 2c2d 3438 3.68 2086.56,-48\n+0001ed90: 322e 3936 2031 3636 362e 3939 2c2d 3538 2.96 1666.99,-58\n+0001eda0: 332e 3633 2031 3133 382e 3636 2c2d 3539 3.63 1138.66,-59\n+0001edb0: 332e 3531 2039 3935 2e36 362c 2d35 3934 3.51 995.66,-594\n+0001edc0: 2e32 3722 2f3e 0a3c 706f 6c79 676f 6e20 .27\"/>....<\n+0001ee80: 6720 6964 3d22 6564 6765 3139 3222 2063 g id=\"edge192\" c\n+0001ee90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001eeb0: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+0001eec0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001eed0: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib....\n+0001eff0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..m\n+0001f040: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f050: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n+0001f060: 3c2f 7469 746c 653e 0a3c 6720 6964 3d22 ...ene\n+0001f190: 7267 7961 6e61 6c79 7369 733c 2f74 6578 rgyanalysis.....<\n+0001f200: 6720 6964 3d22 6564 6765 3139 3922 2063 g id=\"edge199\" c\n+0001f210: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+0001f230: 726f 6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n+0001f240: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+0001f250: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f260: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n+0001f270: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0001f350: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 .<\n+0001f3c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+0001f410: 0a3c 6720 6964 3d22 6564 6765 3139 3722 ..<\n+0001f430: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+0001f440: 5f67 726f 6d61 6373 5f65 6e65 7267 7961 _gromacs_energya\n+0001f450: 6e61 6c79 7369 7326 2334 353b 2667 743b nalysis->\n+0001f460: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001f470: 6373 5f66 696c 6569 6f3c 2f74 6974 6c65 cs_fileio......module_src_gro\n+0001f640: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n+0001f650: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+0001f660: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0001f670: 7461 7469 7374 6963 733c 2f74 6974 6c65 tatistics...\n+0001f770: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+0001f950: 6720 6964 3d22 6e6f 6465 3339 2220 636c g id=\"node39\" cl\n+0001f960: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n+0001f980: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility...\n+0001fab0: 7574 696c 6974 793c 2f74 6578 743e 0a3c utility.<\n+0001fac0: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....module_\n+0001fb40: 7372 635f 6772 6f6d 6163 735f 7574 696c src_gromacs_util\n+0001fb50: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+0001fb60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0001fb70: 6f6d 7061 743c 2f74 6974 6c65 3e0a 3c70 ompat......modul\n+0001fdc0: 655f 7372 635f 6772 6f6d 6163 735f 7574 e_src_gromacs_ut\n+0001fdd0: 696c 6974 7926 2334 353b 2667 743b 6d6f ility->mo\n+0001fde0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001fdf0: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n+0001fe00: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0001fe10: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+0001fe20: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+0001fe30: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0001fe40: 4d32 3230 332e 3836 2c2d 3130 3232 2e36 M2203.86,-1022.6\n+0001fe50: 3243 3231 3939 2e39 322c 2d31 3031 352e 2C2199.92,-1015.\n+0001fe60: 3037 2032 3139 352e 3933 2c2d 3130 3035 07 2195.93,-1005\n+0001fe70: 2e30 3220 3231 3933 2e31 352c 2d39 3935 .02 2193.15,-995\n+0001fe80: 2e39 3722 2f3e 0a3c 706f 6c79 676f 6e20 .97\"/>.<polygon \n+0001fe90: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+0001fea0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+0001feb0: 706f 696e 7473 3d22 3231 3936 2e34 352c points=\"2196.45,\n+0001fec0: 2d39 3934 2e37 3920 3231 3930 2e35 312c -994.79 2190.51,\n+0001fed0: 2d39 3836 2e30 3220 3231 3839 2e36 392c -986.02 2189.69,\n+0001fee0: 2d39 3936 2e35 3920 3231 3936 2e34 352c -996.59 2196.45,\n+0001fef0: 2d39 3934 2e37 3922 2f3e 0a3c 2f67 3e0a -994.79\"/>.</g>.\n+0001ff00: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+0001ff10: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+0001ff20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0001ff30: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+0001ff40: 6520 2d2d 3e0a 3c67 2069 643d 2265 6467 e -->.<g id=\"edg\n+0001ff50: 6532 3036 2220 636c 6173 733d 2265 6467 e206\" class=\"edg\n+0001ff60: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001ff70: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+0001ff80: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n+0001ff90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+0001ffa0: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n+0001ffb0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....\n+00020210: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020220: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+00020230: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020240: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00020250: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00020260: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00020270: 6662 6622 2064 3d22 4d31 3931 342e 3633 fbf\" d=\"M1914.63\n+00020280: 2c2d 3432 302e 3136 4331 3931 322e 3335 ,-420.16C1912.35\n+00020290: 2c2d 3432 392e 3820 3139 3037 2e33 312c ,-429.8 1907.31,\n+000202a0: 2d34 3433 2e35 3620 3139 3034 2e35 362c -443.56 1904.56,\n+000202b0: 2d34 3536 2e30 3920 3138 3836 2e34 382c -456.09 1886.48,\n+000202c0: 2d35 3338 2e33 3320 3138 3930 2e35 362c -538.33 1890.56,\n+000202d0: 2d35 3630 2e35 3920 3138 3836 2e35 362c -560.59 1886.56,\n+000202e0: 2d36 3434 2e37 2031 3838 352e 3233 2c2d -644.7 1885.23,-\n+000202f0: 3637 322e 3634 2031 3838 372e 3239 2c2d 672.64 1887.29,-\n+00020300: 3637 392e 3639 2031 3838 392e 3536 2c2d 679.69 1889.56,-\n+00020310: 3730 372e 3537 2031 3839 322e 3932 2c2d 707.57 1892.92,-\n+00020320: 3734 382e 3738 2031 3839 392e 3233 2c2d 748.78 1899.23,-\n+00020330: 3739 312e 3820 3138 3934 2e35 362c 2d37 791.8 1894.56,-7\n+00020340: 3937 2e33 3120 3138 3631 2e37 382c 2d38 97.31 1861.78,-8\n+00020350: 3335 2e39 3820 3137 3036 2e30 392c 2d38 35.98 1706.09,-8\n+00020360: 3433 2e38 3120 3136 3332 2e32 392c 2d38 43.81 1632.29,-8\n+00020370: 3435 2e33 3722 2f3e 0a3c 706f 6c79 676f 45.37\"/>.<polygo\n+00020380: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00020390: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+000203a0: 2220 706f 696e 7473 3d22 3136 3331 2e39 \" points=\"1631.9\n+000203b0: 352c 2d38 3431 2e38 3820 3136 3232 2e30 5,-841.88 1622.0\n+000203c0: 322c 2d38 3435 2e35 3620 3136 3332 2e30 2,-845.56 1632.0\n+000203d0: 382c 2d38 3438 2e38 3820 3136 3331 2e39 8,-848.88 1631.9\n+000203e0: 352c 2d38 3431 2e38 3822 2f3e 0a3c 2f67 5,-841.88\"/>.</g\n+000203f0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00020400: 635f 6772 6f6d 6163 735f 6e62 6e78 6d26 c_gromacs_nbnxm&\n+00020410: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00020420: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00020430: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00020440: 6765 3230 3222 2063 6c61 7373 3d22 6564 ge202\" class=\"ed\n+00020450: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00020460: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+00020470: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+00020480: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00020490: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+000204a0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modu\n+000206a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+000206b0: 626e 786d 2623 3435 3b26 6774 3b6d 6f64 bnxm->mod\n+000206c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000206d0: 646f 6d64 6563 3c2f 7469 746c 653e 0a3c domdec.<\n+000206e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000206f0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00020700: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00020710: 6179 3d22 352c 3222 2064 3d22 4d31 3930 ay=\"5,2\" d=\"M190\n+00020720: 352e 3633 2c2d 3339 332e 3334 4331 3839 5.63,-393.34C189\n+00020730: 382e 3231 2c2d 3337 322e 3639 2031 3838 8.21,-372.69 188\n+00020740: 382e 372c 2d33 3330 2e38 2031 3838 352e 8.7,-330.8 1885.\n+00020750: 3136 2c2d 3330 342e 3637 222f 3e0a 3c70 16,-304.67\"/>..\n+000207d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00020820: 3c67 2069 643d 2265 6467 6532 3038 2220 .module_src_\n+00020850: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+00020860: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00020870: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+00020880: 666f 7263 6573 3c2f 7469 746c 653e 0a3c forces.<\n+00020890: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000208a0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000208b0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000208c0: 6179 3d22 352c 3222 2064 3d22 4d31 3838 ay=\"5,2\" d=\"M188\n+000208d0: 362e 3836 2c2d 3339 382e 3139 4331 3835 6.86,-398.19C185\n+000208e0: 372e 3139 2c2d 3338 382e 3532 2031 3830 7.19,-388.52 180\n+000208f0: 382e 3538 2c2d 3337 312e 3437 2031 3737 8.58,-371.47 177\n+00020900: 352e 3533 2c2d 3335 392e 3233 222f 3e0a 5.53,-359.23\"/>.\n+00020910: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 \n+00020980: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+000209f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020a00: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00020a10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020a20: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n+00020a30: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00020a40: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00020a50: 6662 6622 2064 3d22 4d31 3933 372e 3833 fbf\" d=\"M1937.83\n+00020a60: 2c2d 3339 372e 3938 4331 3934 332e 3333 ,-397.98C1943.33\n+00020a70: 2c2d 3339 362e 3336 2031 3934 392e 3133 ,-396.36 1949.13\n+00020a80: 2c2d 3339 342e 3720 3139 3534 2e35 362c ,-394.7 1954.56,\n+00020a90: 2d33 3933 2e32 3220 3232 3432 2e32 332c -393.22 2242.23,\n+00020aa0: 2d33 3134 2e39 3420 3234 3231 2e39 322c -314.94 2421.92,\n+00020ab0: 2d34 3636 2e33 3320 3236 3035 2e35 362c -466.33 2605.56,\n+00020ac0: 2d32 3331 2e34 3820 3236 3437 2e33 342c -231.48 2647.34,\n+00020ad0: 2d31 3738 2e30 3520 3236 3531 2e38 2c2d -178.05 2651.8,-\n+00020ae0: 3132 382e 3439 2032 3630 352e 3536 2c2d 128.49 2605.56,-\n+00020af0: 3738 2e38 3720 3235 3631 2e36 342c 2d33 78.87 2561.64,-3\n+00020b00: 312e 3734 2032 3130 342e 3039 2c2d 3239 1.74 2104.09,-29\n+00020b10: 2e36 3520 3139 3631 2e36 352c 2d33 302e .65 1961.65,-30.\n+00020b20: 3136 222f 3e0a 3c70 6f6c 7967 6f6e 2066 16\"/>.<polygon f\n+00020b30: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+00020b40: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+00020b50: 6f69 6e74 733d 2231 3936 312e 3535 2c2d oints=\"1961.55,-\n+00020b60: 3236 2e36 3620 3139 3531 2e35 362c 2d33 26.66 1951.56,-3\n+00020b70: 302e 3220 3139 3631 2e35 372c 2d33 332e 0.2 1961.57,-33.\n+00020b80: 3636 2031 3936 312e 3535 2c2d 3236 2e36 66 1961.55,-26.6\n+00020b90: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>.</g>.<!-- m\n+00020ba0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020bb0: 735f 6e62 6e78 6d26 2334 353b 2667 743b s_nbnxm->\n+00020bc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020bd0: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n+00020be0: 0a3c 6720 6964 3d22 6564 6765 3230 3422 .<g id=\"edge204\"\n+00020bf0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00020c00: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00020c10: 5f67 726f 6d61 6373 5f6e 626e 786d 2623 _gromacs_nbnxm&#\n+00020c20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00020c30: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n+00020c40: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils......module_src_gro\n+00020df0: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+00020e00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00020e10: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald......module_src_gr\n+00020f90: 6f6d 6163 735f 6d69 6d69 6326 2334 353b omacs_mimic-\n+00020fa0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00020fb0: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib......mod\n+00021270: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00021280: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n+00021290: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000212a0: 6d61 6373 5f68 6172 6477 6172 653c 2f74 macs_hardware</t\n+000212b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000212c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000212d0: 7265 6422 2064 3d22 4d32 3137 312e 3535 red\" d=\"M2171.55\n+000212e0: 2c2d 3938 342e 3143 3231 3438 2e35 392c ,-984.1C2148.59,\n+000212f0: 2d39 3934 2e35 3120 3231 3130 2e38 342c -994.51 2110.84,\n+00021300: 2d31 3031 302e 3431 2032 3038 322e 3735 -1010.41 2082.75\n+00021310: 2c2d 3130 3231 2e35 3322 2f3e 0a3c 706f ,-1021.53\"/>.<po\n+00021320: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+00021330: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+00021340: 696e 7473 3d22 3230 3831 2e32 392c 2d31 ints=\"2081.29,-1\n+00021350: 3031 382e 3334 2032 3037 332e 3235 2c2d 018.34 2073.25,-\n+00021360: 3130 3235 2e32 3420 3230 3833 2e38 342c 1025.24 2083.84,\n+00021370: 2d31 3032 342e 3836 2032 3038 312e 3239 -1024.86 2081.29\n+00021380: 2c2d 3130 3138 2e33 3422 2f3e 0a3c 2f67 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6363 ygon fill=\"#2ccc\n+00021560: 3238 2220 7374 726f 6b65 3d22 2332 6363 28\" stroke=\"#2cc\n+00021570: 6332 3822 2070 6f69 6e74 733d 2236 3531 c28\" points=\"651\n+00021580: 2e30 332c 2d31 3536 2e33 3920 3634 302e .03,-156.39 640.\n+00021590: 3733 2c2d 3135 382e 3839 2036 3530 2e33 73,-158.89 650.3\n+000215a0: 342c 2d31 3633 2e33 3620 3635 312e 3033 4,-163.36 651.03\n+000215b0: 2c2d 3135 362e 3339 222f 3e0a 3c2f 673e ,-156.39\"/>.</g>\n+000215c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+000215d0: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+000215e0: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+000215f0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00021600: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+00021610: 2265 6467 6532 3132 2220 636c 6173 733d \"edge212\" class=\n+00021620: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00021630: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021640: 735f 6770 755f 7574 696c 7326 2334 353b s_gpu_utils-\n+00021650: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00021660: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+00021670: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00021680: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00021690: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+000216a0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+000216b0: 2064 3d22 4d32 3135 352e 3736 2c2d 3936 d=\"M2155.76,-96\n+000216c0: 362e 3536 4332 3038 332e 3132 2c2d 3935 6.56C2083.12,-95\n+000216d0: 352e 3838 2031 3931 392e 3136 2c2d 3933 5.88 1919.16,-93\n+000216e0: 302e 3539 2031 3834 302e 3736 2c2d 3931 0.59 1840.76,-91\n+000216f0: 3822 2f3e 0a3c 706f 6c79 676f 6e20 6669 8\"/>.<polygon fi\n+00021700: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00021710: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00021720: 696e 7473 3d22 3138 3431 2e31 362c 2d39 ints=\"1841.16,-9\n+00021730: 3134 2e35 3220 3138 3330 2e37 332c 2d39 14.52 1830.73,-9\n+00021740: 3136 2e33 3820 3138 3430 2e30 352c 2d39 16.38 1840.05,-9\n+00021750: 3231 2e34 3320 3138 3431 2e31 362c 2d39 21.43 1841.16,-9\n+00021760: 3134 2e35 3222 2f3e 0a3c 2f67 3e0a 3c21 14.52\"/>.</g>.<!\n+00021770: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00021780: 6f6d 6163 735f 6770 755f 7574 696c 7326 omacs_gpu_utils&\n+00021790: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000217a0: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n+000217b0: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564 ty -->.<g id=\"ed\n+000217c0: 6765 3231 3422 2063 6c61 7373 3d22 6564 ge214\" class=\"ed\n+000217d0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+000217e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000217f0: 7075 5f75 7469 6c73 2623 3435 3b26 6774 pu_utils->\n+00021800: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00021810: 6163 735f 7574 696c 6974 793c 2f74 6974 acs_utility</tit\n+00021820: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021830: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00021840: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+00021850: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00021860: 224d 3232 3031 2e34 392c 2d39 3835 2e36 \"M2201.49,-985.6\n+00021870: 3743 3232 3035 2e33 362c 2d39 3933 2e31 7C2205.36,-993.1\n+00021880: 3920 3232 3039 2e32 372c 2d31 3030 332e 9 2209.27,-1003.\n+00021890: 3037 2032 3231 322c 2d31 3031 312e 3936 07 2212,-1011.96\n+000218a0: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon fil\n+000218b0: 6c3d 2223 3263 6363 3238 2220 7374 726f l=\"#2ccc28\" stro\n+000218c0: 6b65 3d22 2332 6363 6332 3822 2070 6f69 ke=\"#2ccc28\" poi\n+000218d0: 6e74 733d 2232 3230 382e 3635 2c2d 3130 nts=\"2208.65,-10\n+000218e0: 3132 2e39 3720 3232 3134 2e35 392c 2d31 12.97 2214.59,-1\n+000218f0: 3032 312e 3734 2032 3231 352e 3432 2c2d 021.74 2215.42,-\n+00021900: 3130 3131 2e31 3820 3232 3038 2e36 352c 1011.18 2208.65,\n+00021910: 2d31 3031 322e 3937 222f 3e0a 3c2f 673e -1012.97\"/>.</g>\n+00021920: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00021930: 5f67 726f 6d61 6373 5f74 6162 6c65 7326 _gromacs_tables&\n+00021940: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00021950: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00021960: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00021970: 6765 3231 3722 2063 6c61 7373 3d22 6564 ge217\" class=\"ed\n+00021980: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00021990: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+000219a0: 6162 6c65 7326 2334 353b 2667 743b 6d6f ables->mo\n+000219b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000219c0: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n+000219d0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00021ac0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 \n+00021b30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00021ba0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00021bb0: 6373 5f74 6162 6c65 7326 2334 353b 2667 cs_tables-&g\n+00021bc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00021bd0: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974 macs_mdspan</tit\n+00021be0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00021bf0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00021c00: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00021c10: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00021c20: 224d 3637 392e 3533 2c2d 3236 392e 3739 \"M679.53,-269.79\n+00021c30: 4336 3531 2e36 392c 2d32 3532 2e39 3720 C651.69,-252.97 \n+00021c40: 3539 392e 3238 2c2d 3231 362e 3336 2035 599.28,-216.36 5\n+00021c50: 3738 2e35 362c 2d31 3638 2e36 3120 3537 78.56,-168.61 57\n+00021c60: 332e 3831 2c2d 3135 372e 3635 2035 3733 3.81,-157.65 573\n+00021c70: 2e38 352c 2d31 3532 2e37 3120 3537 382e .85,-152.71 578.\n+00021c80: 3536 2c2d 3134 312e 3734 2035 3833 2e38 56,-141.74 583.8\n+00021c90: 372c 2d31 3239 2e33 3820 3539 342e 3035 7,-129.38 594.05\n+00021ca0: 2c2d 3131 382e 3639 2036 3033 2e39 332c ,-118.69 603.93,\n+00021cb0: 2d31 3130 2e35 3222 2f3e 0a3c 706f 6c79 -110.52\"/>.<poly\n+00021cc0: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+00021cd0: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+00021ce0: 6363 2220 706f 696e 7473 3d22 3630 362e cc\" points=\"606.\n+00021cf0: 3236 2c2d 3131 332e 3134 2036 3132 2e30 26,-113.14 612.0\n+00021d00: 342c 2d31 3034 2e32 3720 3630 312e 3939 4,-104.27 601.99\n+00021d10: 2c2d 3130 372e 3620 3630 362e 3236 2c2d ,-107.6 606.26,-\n+00021d20: 3131 332e 3134 222f 3e0a 3c2f 673e 0a3c 113.14\"/>.</g>.<\n+00021d30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00021d40: 726f 6d61 6373 5f74 6162 6c65 7326 2334 romacs_tables\n+00021d50: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00021d60: 5f67 726f 6d61 6373 5f66 696c 6569 6f20 _gromacs_fileio \n+00021d70: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00021d80: 3135 2220 636c 6173 733d 2265 6467 6522 15\" class=\"edge\"\n+00021d90: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00021da0: 7372 635f 6772 6f6d 6163 735f 7461 626c src_gromacs_tabl\n+00021db0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+00021dc0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n+00021dd0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio......module_src_gro\n+00021f90: 6d61 6373 5f70 6263 7574 696c 3c2f 7469 macs_pbcutil..<\n+00022000: 7465 7874 2074 6578 742d 616e 6368 6f72 text text-anchor\n+00022010: 3d22 6d69 6464 6c65 2220 783d 2232 3133 =\"middle\" x=\"213\n+00022020: 352e 3536 2220 793d 222d 3130 3332 2e38 5.56\" y=\"-1032.8\n+00022030: 3622 2066 6f6e 742d 6661 6d69 6c79 3d22 6\" font-family=\"\n+00022040: 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223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00022280: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00022290: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774 mandline->\n+000222a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000222b0: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n+000222c0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000222d0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000222e0: 6266 6266 2220 643d 224d 3132 3132 2e36 bfbf\" d=\"M1212.6\n+000222f0: 352c 2d36 3439 2e30 3543 3131 3535 2e30 5,-649.05C1155.0\n+00022300: 332c 2d36 3337 2e30 3820 3130 3437 2e39 3,-637.08 1047.9\n+00022310: 322c 2d36 3134 2e38 3320 3939 332c 2d36 2,-614.83 993,-6\n+00022320: 3033 2e34 3222 2f3e 0a3c 706f 6c79 676f 03.42\"/>.<polygo\n+00022330: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00022340: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00022350: 2220 706f 696e 7473 3d22 3939 332e 3536 \" points=\"993.56\n+00022360: 2c2d 3539 392e 3936 2039 3833 2e30 352c ,-599.96 983.05,\n+00022370: 2d36 3031 2e33 3520 3939 322e 3133 2c2d -601.35 992.13,-\n+00022380: 3630 362e 3832 2039 3933 2e35 362c 2d35 606.82 993.56,-5\n+00022390: 3939 2e39 3622 2f3e 0a3c 2f67 3e0a 3c21 99.96\"/>.</g>.<!\n+000223a0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+000223b0: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+000223c0: 6526 2334 353b 2667 743b 6d6f 6475 6c65 e->module\n+000223d0: 5f73 7263 5f67 726f 6d61 6373 5f6f 6e6c _src_gromacs_onl\n+000223e0: 696e 6568 656c 7020 2d2d 3e0a 3c67 2069 inehelp -->.<g i\n+000223f0: 643d 2265 6467 6532 3230 2220 636c 6173 d=\"edge220\" clas\n+00022400: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00022410: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00022420: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n+00022430: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00022440: 7263 5f67 726f 6d61 6373 5f6f 6e6c 696e rc_gromacs_onlin\n+00022450: 6568 656c 703c 2f74 6974 6c65 3e0a 3c70 ehelp......mod\n+000225b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000225c0: 636f 6d6d 616e 646c 696e 6526 2334 353b commandline-\n+000225d0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000225e0: 726f 6d61 6373 5f6f 7074 696f 6e73 3c2f romacs_options</\n+000225f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00022600: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00022610: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00022620: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00022630: 2064 3d22 4d31 3330 332e 332c 2d36 3535 d=\"M1303.3,-655\n+00022640: 2e39 4331 3436 352e 3836 2c2d 3635 312e .9C1465.86,-651.\n+00022650: 3736 2031 3935 392e 3533 2c2d 3633 362e 76 1959.53,-636.\n+00022660: 3936 2032 3032 352e 3536 2c2d 3630 382e 96 2025.56,-608.\n+00022670: 3720 3231 3530 2e39 382c 2d35 3535 2e30 7 2150.98,-555.0\n+00022680: 3320 3231 3830 2e36 332c 2d34 3932 2e30 3 2180.63,-492.0\n+00022690: 3320 3232 3031 2e35 362c 2d33 3537 2e32 3 2201.56,-357.2\n+000226a0: 3220 3232 3033 2e33 392c 2d33 3435 2e34 2 2203.39,-345.4\n+000226b0: 3220 3232 3034 2e37 392c 2d33 3431 2e38 2 2204.79,-341.8\n+000226c0: 3520 3232 3031 2e35 362c 2d33 3330 2e33 5 2201.56,-330.3\n+000226d0: 3520 3231 3936 2e34 382c 2d33 3132 2e33 5 2196.48,-312.3\n+000226e0: 2032 3138 372e 3437 2c2d 3331 312e 3335 2187.47,-311.35\n+000226f0: 2032 3137 392e 3536 2c2d 3239 342e 3335 2179.56,-294.35\n+00022700: 2032 3135 352e 3134 2c2d 3234 312e 3836 2155.14,-241.86\n+00022710: 2032 3135 332e 3336 2c2d 3232 352e 3937 2153.36,-225.97\n+00022720: 2032 3134 352e 3536 2c2d 3136 382e 3631 2145.56,-168.61\n+00022730: 2032 3134 332e 3138 2c2d 3135 312e 3133 2143.18,-151.13\n+00022740: 2032 3134 312e 3932 2c2d 3133 312e 3220 2141.92,-131.2 \n+00022750: 3231 3431 2e32 362c 2d31 3136 2e32 3322 2141.26,-116.23\"\n+00022760: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+00022770: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00022780: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+00022790: 7473 3d22 3231 3434 2e37 352c 2d31 3135 ts=\"2144.75,-115\n+000227a0: 2e37 3420 3231 3430 2e38 372c 2d31 3035 .74 2140.87,-105\n+000227b0: 2e38 3820 3231 3337 2e37 352c 2d31 3136 .88 2137.75,-116\n+000227c0: 2e30 3120 3231 3434 2e37 352c 2d31 3135 .01 2144.75,-115\n+000227d0: 2e37 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .74\"/>.</g>.<!--\n+000227e0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+000227f0: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00022800: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00022810: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022820: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->.<g id=\n+00022830: 2265 6467 6532 3232 2220 636c 6173 733d \"edge222\" class=\n+00022840: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n+00022850: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00022860: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n+00022870: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n+00022880: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00022890: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib......module_src_gr\n+00022a50: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n+00022a60: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n+00022a70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00022a80: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes...\n+00022bf0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+00022c70: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00022c80: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+00022c90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00022ca0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+00022cb0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00022cc0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00022cd0: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+00022ce0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00022cf0: 3d22 4d31 3438 342e 3538 2c2d 3532 302e =\"M1484.58,-520.\n+00022d00: 3636 4331 3332 342e 3931 2c2d 3436 362e 66C1324.91,-466.\n+00022d10: 3932 2036 3138 2e33 362c 2d32 3237 2e33 92 618.36,-227.3\n+00022d20: 3920 3533 332e 3536 2c2d 3136 382e 3631 9 533.56,-168.61\n+00022d30: 2035 3132 2e33 362c 2d31 3533 2e39 3220 512.36,-153.92 \n+00022d40: 3439 332e 3738 2c2d 3133 302e 3734 2034 493.78,-130.74 4\n+00022d50: 3831 2e39 372c 2d31 3133 2e39 3822 2f3e 81.97,-113.98\"/>\n+00022d60: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00022d70: 626c 6163 6b22 2073 7472 6f6b 653d 2262 black\" stroke=\"b\n+00022d80: 6c61 636b 2220 706f 696e 7473 3d22 3438 lack\" points=\"48\n+00022d90: 342e 3636 2c2d 3131 312e 3731 2034 3736 4.66,-111.71 476\n+00022da0: 2e31 332c 2d31 3035 2e34 3220 3437 382e .13,-105.42 478.\n+00022db0: 3837 2c2d 3131 352e 3635 2034 3834 2e36 87,-115.65 484.6\n+00022dc0: 362c 2d31 3131 2e37 3122 2f3e 0a3c 2f67 6,-111.71\"/>.</g\n+00022dd0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00022de0: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+00022df0: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n+00022e00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00022e10: 6f6d 6163 735f 7075 6c6c 696e 6720 2d2d omacs_pulling --\n+00022e20: 3e0a 3c67 2069 643d 2265 6467 6532 3333 >.<g id=\"edge233\n+00022e30: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n+00022e40: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n+00022e50: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n+00022e60: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n+00022e70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00022e80: 6f6d 6163 735f 7075 6c6c 696e 673c 2f74 omacs_pulling</t\n+00022e90: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00022ea0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00022eb0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00022ec0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00022ed0: 643d 224d 3135 3039 2e36 342c 2d35 3138 d=\"M1509.64,-518\n+00022ee0: 2e39 3143 3134 3739 2e34 312c 2d34 3634 .91C1479.41,-464\n+00022ef0: 2e33 3720 3133 3538 2e37 322c 2d32 3436 .37 1358.72,-246\n+00022f00: 2e36 3620 3133 3230 2e33 342c 2d31 3737 .66 1320.34,-177\n+00022f10: 2e34 3322 2f3e 0a3c 706f 6c79 676f 6e20 .43\"/>.<polygon \n+00022f20: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00022f30: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00022f40: 706f 696e 7473 3d22 3133 3233 2e32 312c points=\"1323.21,\n+00022f50: 2d31 3735 2e33 3820 3133 3135 2e33 2c2d -175.38 1315.3,-\n+00022f60: 3136 382e 3333 2031 3331 372e 3038 2c2d 168.33 1317.08,-\n+00022f70: 3137 382e 3737 2031 3332 332e 3231 2c2d 178.77 1323.21,-\n+00022f80: 3137 352e 3338 222f 3e0a 3c2f 673e 0a3c 175.38\"/>.</g>.<\n+00022f90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00022fa0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00022fb0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00022fc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00022fd0: 6373 5f6d 6472 756e 7574 696c 6974 7920 cs_mdrunutility \n+00022fe0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00022ff0: 3233 2220 636c 6173 733d 2265 6467 6522 23\" class=\"edge\"\n+00023000: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00023010: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00023020: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+00023030: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00023040: 6772 6f6d 6163 735f 6d64 7275 6e75 7469 gromacs_mdrunuti\n+00023050: 6c69 7479 3c2f 7469 746c 653e 0a3c 7061 lity......mo\n+00023420: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00023430: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00023440: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00023450: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00023460: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..\n+00023530: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n+000235a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modu\n+00023620: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00023630: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00023640: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00023650: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n+00023660: 645f 666f 7263 6573 3c2f 7469 746c 653e d_forces\n+00023670: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+000237e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000237f0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+00023800: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n+00023810: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00023820: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio......mod\n+00023980: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00023990: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+000239a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000239b0: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+000239c0: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at......module\n+00023ba0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+00023bb0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+00023bc0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00023bd0: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+00023be0: 6967 6e6d 656e 743c 2f74 6974 6c65 3e0a ignment.\n+00023bf0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_gro\n+00024000: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00024010: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00024020: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024030: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n+00024040: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00024050: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00024060: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00024070: 6179 3d22 352c 3222 2064 3d22 4d31 3535 ay=\"5,2\" d=\"M155\n+00024080: 302e 3332 2c2d 3532 302e 3835 4331 3632 0.32,-520.85C162\n+00024090: 342e 3634 2c2d 3439 372e 3632 2031 3830 4.64,-497.62 180\n+000240a0: 312e 3735 2c2d 3434 322e 3238 2031 3837 1.75,-442.28 187\n+000240b0: 372e 3336 2c2d 3431 382e 3635 222f 3e0a 7.36,-418.65\"/>.\n+000240c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+000241b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000241c0: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n+000241d0: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n+000241e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000241f0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+00024200: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n+000243d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000243e0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+000243f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00024400: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+00024410: 6e64 6c69 6e65 3c2f 7469 746c 653e 0a3c ndline.<\n+00024420: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00024430: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00024440: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00024450: 3d22 352c 3222 2064 3d22 4d31 3439 312e =\"5,2\" d=\"M1491.\n+00024460: 3637 2c2d 3534 352e 3032 4331 3434 332e 67,-545.02C1443.\n+00024470: 372c 2d35 3637 2e34 3220 3133 3338 2e34 7,-567.42 1338.4\n+00024480: 362c 2d36 3136 2e35 3620 3132 3834 2e36 6,-616.56 1284.6\n+00024490: 362c 2d36 3431 2e36 3822 2f3e 0a3c 706f 6,-641.68\"/>....\n+00024560: 3c67 2069 643d 2265 6467 6532 3234 2220 .module_src_\n+00024590: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+000245a0: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n+000245b0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000245c0: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald......m\n+00024710: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024720: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+00024730: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024740: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n+00024750: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n+00024860: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00024870: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n+00024880: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00024890: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+000248a0: 6f63 6573 7320 2d2d 3e0a 3c67 2069 643d ocess -->..m\n+000248d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000248e0: 735f 746f 6f6c 7326 2334 353b 2667 743b s_tools->\n+000248f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024900: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00024910: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......modu\n+00024a70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00024a80: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00024a90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024aa0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00024ab0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00024bc0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+00024c30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00024c40: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+00024c50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024c60: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n+00024c70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module\n+00024e80: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n+00024e90: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n+00024ea0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00024eb0: 7275 6e3c 2f74 6974 6c65 3e0a 3c70 6174 run...\n+00025040: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+000250c0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+000250d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000250e0: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+000250f0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es.\n+00025210: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00025280: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+000252f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00025300: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+00025310: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025320: 6666 743c 2f74 6974 6c65 3e0a 3c70 6174 fft......modul\n+00025570: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00025580: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+00025590: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n+000255a0: 696c 6569 6f3c 2f74 6974 6c65 3e0a 3c70 ileio......\n+00025750: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025760: 6373 5f74 6f6f 6c73 2623 3435 3b26 6774 cs_tools->\n+00025770: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00025780: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+00025790: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000257a0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+000257b0: 6266 6266 2220 643d 224d 3135 3637 2e37 bfbf\" d=\"M1567.7\n+000257c0: 2c2d 3130 3936 2e35 3343 3136 3836 2e31 ,-1096.53C1686.1\n+000257d0: 382c 2d31 3039 332e 3335 2032 3135 382e 8,-1093.35 2158.\n+000257e0: 352c 2d31 3037 382e 3936 2032 3330 332e 5,-1078.96 2303.\n+000257f0: 3536 2c2d 3130 3438 2e37 3920 3235 3138 56,-1048.79 2518\n+00025800: 2e33 2c2d 3130 3034 2e31 3320 3237 3230 .3,-1004.13 2720\n+00025810: 2e35 362c 2d31 3030 342e 3231 2032 3732 .56,-1004.21 272\n+00025820: 302e 3536 2c2d 3738 342e 3838 2032 3732 0.56,-784.88 272\n+00025830: 302e 3536 2c2d 3738 342e 3838 2032 3732 0.56,-784.88 272\n+00025840: 302e 3536 2c2d 3738 342e 3838 2032 3732 0.56,-784.88 272\n+00025850: 302e 3536 2c2d 3135 342e 3138 2032 3732 0.56,-154.18 272\n+00025860: 302e 3536 2c2d 3130 392e 3936 2032 3639 0.56,-109.96 269\n+00025870: 352e 3133 2c2d 3938 2e35 3920 3236 3535 5.13,-98.59 2655\n+00025880: 2e35 362c 2d37 382e 3837 2032 3539 332e .56,-78.87 2593.\n+00025890: 3433 2c2d 3437 2e39 3220 3231 3038 2e35 43,-47.92 2108.5\n+000258a0: 372c 2d33 342e 3635 2031 3936 312e 3633 7,-34.65 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3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000259a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000259b0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+000259c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000259d0: 5f74 7261 6a65 6374 6f72 793c 2f74 6974 _trajectory</tit\n+000259e0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000259f0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00025a00: 6662 6662 6622 2064 3d22 4d31 3531 332e fbfbf\" d=\"M1513.\n+00025a10: 3733 2c2d 3130 3936 2e37 4331 3430 352e 73,-1096.7C1405.\n+00025a20: 3032 2c2d 3130 3934 2e33 3720 3938 362e 02,-1094.37 986.\n+00025a30: 3639 2c2d 3130 3833 2e35 3120 3634 342e 69,-1083.51 644.\n+00025a40: 3536 2c2d 3130 3438 2e37 3920 3434 382e 56,-1048.79 448.\n+00025a50: 3932 2c2d 3130 3238 2e39 3420 3230 382e 92,-1028.94 208.\n+00025a60: 3536 2c2d 3131 3730 2e31 3320 3230 382e 56,-1170.13 208.\n+00025a70: 3536 2c2d 3937 332e 3439 2032 3038 2e35 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6d61 module_src_groma\n+00025e20: 6373 5f65 7761 6c64 202d 2d3e 0a3c 6720 cs_ewald -->.<g \n+00025e30: 6964 3d22 6564 6765 3234 3422 2063 6c61 id=\"edge244\" cla\n+00025e40: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00025e50: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00025e60: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+00025e70: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00025e80: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+00025e90: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00025ea0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00025eb0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00025ec0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00025ed0: 224d 3135 3637 2e38 372c 2d31 3039 372e \"M1567.87,-1097.\n+00025ee0: 3336 4331 3639 322e 3039 2c2d 3130 3937 36C1692.09,-1097\n+00025ef0: 2e37 3120 3231 3939 2e39 392c 2d31 3039 .71 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are -->.<g id=\"e\n+000260d0: 6467 6532 3532 2220 636c 6173 733d 2265 dge252\" class=\"e\n+000260e0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000260f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00026100: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n+00026110: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00026120: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware</title\n+00026130: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00026140: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+00026150: 2064 3d22 4d32 3035 362e 3539 2c2d 3438 d=\"M2056.59,-48\n+00026160: 322e 3739 4332 3036 322e 3932 2c2d 3439 2.79C2062.92,-49\n+00026170: 322e 3533 2032 3037 312e 3933 2c2d 3530 2.53 2071.93,-50\n+00026180: 362e 3534 2032 3037 392e 3536 2c2d 3531 6.54 2079.56,-51\n+00026190: 382e 3936 2032 3038 382e 3034 2c2d 3533 8.96 2088.04,-53\n+000261a0: 322e 3738 2032 3134 382e 322c 2d36 3239 2.78 2148.2,-629\n+000261b0: 2e34 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3420 070.09,-1024.34 \n+000262a0: 3230 3830 2e35 352c 2d31 3032 322e 3639 2080.55,-1022.69\n+000262b0: 2032 3037 372e 3234 2c2d 3130 3136 2e35 2077.24,-1016.5\n+000262c0: 3222 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 2\"/>.</g>.<!-- m\n+000262d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000262e0: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+000262f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026300: 6373 5f6d 646c 6962 202d 2d3e 0a3c 6720 cs_mdlib -->.<g \n+00026310: 6964 3d22 6564 6765 3235 3522 2063 6c61 id=\"edge255\" cla\n+00026320: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00026330: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00026340: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+00026350: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00026360: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n+00026370: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00026380: 6e6f 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3439 2e35 362c 2d33 3133 .16 1949.56,-313\n+00026810: 2e38 3820 3139 3134 2e38 382c 2d32 3936 .88 1914.88,-296\n+00026820: 2e36 3522 2f3e 0a3c 706f 6c79 676f 6e20 .65\"/>.<polygon \n+00026830: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00026840: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00026850: 706f 696e 7473 3d22 3139 3136 2e32 332c points=\"1916.23,\n+00026860: 2d32 3933 2e34 3120 3139 3035 2e37 312c -293.41 1905.71,\n+00026870: 2d32 3932 2e31 3920 3139 3133 2e31 372c -292.19 1913.17,\n+00026880: 2d32 3939 2e37 3120 3139 3136 2e32 332c -299.71 1916.23,\n+00026890: 2d32 3933 2e34 3122 2f3e 0a3c 2f67 3e0a -293.41\"/>.</g>.\n+000268a0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+000268b0: 6772 6f6d 6163 735f 6577 616c 6426 2334 gromacs_ewald\n+000268c0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000268d0: 5f67 726f 6d61 6373 5f66 6674 202d 2d3e _gromacs_fft -->\n+000268e0: 0a3c 6720 6964 3d22 6564 6765 3235 3022 .<g id=\"edge250\"\n+000268f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00026900: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00026910: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n+00026920: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00026930: 635f 6772 6f6d 6163 735f 6666 743c 2f74 c_gromacs_fft</t\n+00026940: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00026950: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00026960: 7265 6422 2064 3d22 4d32 3033 372e 3635 red\" d=\"M2037.65\n+00026970: 2c2d 3435 372e 3038 4332 3032 392e 3437 ,-457.08C2029.47\n+00026980: 2c2d 3434 382e 3439 2032 3031 382e 3039 ,-448.49 2018.09\n+00026990: 2c2d 3433 362e 3534 2032 3030 382e 3536 ,-436.54 2008.56\n+000269a0: 2c2d 3432 362e 3535 222f 3e0a 3c70 6f6c ,-426.55\"/>.<pol\n+000269b0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n+000269c0: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n+000269d0: 6e74 733d 2232 3031 302e 3835 2c2d 3432 nts=\"2010.85,-42\n+000269e0: 332e 3838 2032 3030 312e 3432 2c2d 3431 3.88 2001.42,-41\n+000269f0: 392e 3035 2032 3030 352e 3738 2c2d 3432 9.05 2005.78,-42\n+00026a00: 382e 3731 2032 3031 302e 3835 2c2d 3432 8.71 2010.85,-42\n+00026a10: 332e 3838 222f 3e0a 3c2f 673e 0a3c 212d 3.88\"/>.</g>.<!-\n+00026a20: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00026a30: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n+00026a40: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00026a50: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n+00026a60: 0a3c 6720 6964 3d22 6564 6765 3235 3422 .<g id=\"edge254\"\n+00026a70: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00026a80: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00026a90: 5f67 726f 6d61 6373 5f65 7761 6c64 2623 _gromacs_ewald&#\n+00026aa0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00026ab0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00026ac0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+00026c60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00026c70: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+00026c80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00026c90: 6772 6f6d 6163 735f 6e62 6e78 6d20 2d2d gromacs_nbnxm --\n+00026ca0: 3e0a 3c67 2069 643d 2265 6467 6532 3537 >..\n+00026cc0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00026cd0: 635f 6772 6f6d 6163 735f 6577 616c 6426 c_gromacs_ewald&\n+00026ce0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00026cf0: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n+00026d00: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+00026e00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00026e10: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+00026e20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00026e30: 6772 6f6d 6163 735f 6770 755f 7574 696c gromacs_gpu_util\n+00026e40: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->..modul\n+00026e70: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+00026e80: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+00026e90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00026ea0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n+00026eb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+00026fa0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n+00027090: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+000270a0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+000270b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000270c0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+000270d0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..<\n+00027170: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00027180: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00027190: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000271a0: 3137 3439 2e35 322c 2d39 3130 2e32 3220 1749.52,-910.22 \n+000271b0: 3137 3539 2e36 352c 2d39 3037 2e31 3220 1759.65,-907.12 \n+000271c0: 3137 3439 2e38 2c2d 3930 332e 3232 2031 1749.8,-903.22 1\n+000271d0: 3734 392e 3532 2c2d 3931 302e 3232 222f 749.52,-910.22\"/\n+000271e0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....mod\n+00027260: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027270: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n+00027280: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n+00027290: 655f 7372 635f 6772 6f6d 6163 735f 7261 e_src_gromacs_ra\n+000272a0: 6e64 6f6d 3c2f 7469 746c 653e 0a3c 7061 ndom......\n+000274f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027500: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n+00027510: 735f 6177 6826 2334 353b 2667 743b 6d6f s_awh->mo\n+00027520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00027530: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n+00027540: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+000276b0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+00027740: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n+00027750: 6365 735f 6177 6826 2334 353b 2667 743b ces_awh->\n+00027760: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00027770: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n+00027780: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n+00027880: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n+000278d0: 0a3c 6720 6964 3d22 6564 6765 3236 3222 ..<\n+000278f0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00027900: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n+00027910: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n+00027920: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00027930: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio.\n+00027a30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00027aa0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00027b20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00027b30: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+00027b40: 6826 2334 353b 2667 743b 6d6f 6475 6c65 h->module\n+00027b50: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00027b60: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib...\n+00027d50: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+00027dd0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00027de0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+00027df0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00027e00: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+00027e10: 6563 746f 7279 3c2f 7469 746c 653e 0a3c ectory.<\n+00027e20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00027e30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00027e40: 2220 643d 224d 3931 332e 3037 2c2d 3737 \" d=\"M913.07,-77\n+00027e50: 352e 3433 4339 3036 2e38 342c 2d37 3733 5.43C906.84,-773\n+00027e60: 2e35 3220 3839 392e 3939 2c2d 3737 312e .52 899.99,-771.\n+00027e70: 3637 2038 3933 2e35 362c 2d37 3730 2e34 67 893.56,-770.4\n+00027e80: 3420 3739 392e 3338 2c2d 3735 322e 3433 4 799.38,-752.43\n+00027e90: 2035 3432 2e33 352c 2d37 3839 2e30 3920 542.35,-789.09 \n+00027ea0: 3436 332e 3536 2c2d 3733 342e 3434 2034 463.56,-734.44 4\n+00027eb0: 3032 2e32 382c 2d36 3931 2e39 3420 3337 02.28,-691.94 37\n+00027ec0: 392e 3339 2c2d 3539 392e 3039 2033 3731 9.39,-599.09 371\n+00027ed0: 2e38 342c 2d35 3536 2e30 3922 2f3e 0a3c .84,-556.09\"/>.<\n+00027ee0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00027ef0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00027f00: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00027f10: 3337 352e 3237 2c2d 3535 352e 3337 2033 375.27,-555.37 3\n+00027f20: 3730 2e32 312c 2d35 3436 2e30 3620 3336 70.21,-546.06 36\n+00027f30: 382e 3336 2c2d 3535 362e 3439 2033 3735 8.36,-556.49 375\n+00027f40: 2e32 372c 2d35 3535 2e33 3722 2f3e 0a3c .27,-555.37\"/>.<\n+00027f50: 2f67 3e0a 3c2f 673e 0a3c 2f73 7667 3e0a /g>...\n"}, {"source1": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "source2": "./usr/share/doc/gromacs/html/doxygen/html-full/page_modulegraph.xhtml", "unified_diff": "@@ -74,15 +74,15 @@\n \n
\n
Module dependency graph
\n
\n
\n

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

\n
\n-
\n+
\n

\n Legend

\n

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

\n
\n
\n

Node colors:

\n
gray background
\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.

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.. 2001 \n-00010190: e280 9320 3230 3235 3a3c 2f70 3e0a 3c62 ... 2025:

...
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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. It is\n worked on continuously, which in some cases might mean the information is not\n entirely correct.\n Comments on form and content are welcome, please send them to the _\bu_\bs_\be_\br\n"}]}, {"source1": "./usr/share/doc/gromacs/html/searchindex.js", "source2": "./usr/share/doc/gromacs/html/searchindex.js", "unified_diff": null, "details": [{"source1": "js-beautify {}", "source2": "js-beautify {}", "unified_diff": "@@ -490,15 +490,14 @@\n \"debian_2024\": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 84, 85, 86, 87, 88, 89, 90, 91, 92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113, 114, 115, 116, 117, 118, 119, 120, 121, 122, 123, 124, 125, 126, 127, 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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"}]}]}]}]}]}