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3e0a 3c74 class=\"edge\">.<t\n+00001a60: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00001a70: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74 programs_mdrun_t\n+00001a80: 6573 7473 2623 3435 3b26 6774 3b6d 6f64 ests->mod\n 00001a90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00001aa0: 6861 7264 7761 7265 202d 2d3e 0a3c 6720 hardware -->.<g \n-00001ab0: 6964 3d22 6e6f 6465 3622 2063 6c61 7373 id=\"node6\" class\n-00001ac0: 3d22 6e6f 6465 223e 0a3c 7469 746c 653e =\"node\">.<title>\n-00001ad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00001ae0: 6373 5f68 6172 6477 6172 653c 2f74 6974 cs_hardware</tit\n-00001af0: 6c65 3e0a 3c65 6c6c 6970 7365 2066 696c le>.<ellipse fil\n-00001b00: 6c3d 2223 6266 6266 6266 2220 7374 726f l=\"#bfbfbf\" stro\n-00001b10: 6b65 3d22 626c 6163 6b22 2063 783d 2232 ke=\"black\" cx=\"2\n-00001b20: 3236 372e 3536 2220 6379 3d22 2d31 3033 267.56\" cy=\"-103\n-00001b30: 352e 3336 2220 7278 3d22 3339 2e37 2220 5.36\" rx=\"39.7\" 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223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00001c30: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00001c40: 6373 5f6d 6472 756e 7574 696c 6974 7926 cs_mdrunutility&\n-00001c50: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00001c60: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n-00001c70: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......mo\n-00001de0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00001df0: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n-00001e00: 6720 6964 3d22 615f 6e6f 6465 3139 223e g id=\"a_node19\">\n-00001e10: 3c61 2078 6c69 6e6b 3a68 7265 663d 2267 ..mdrun.\n-00001f20: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n-00001f30: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00001f40: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-00001f50: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n-00001f60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00001f70: 6472 756e 202d 2d3e 0a3c 6720 6964 3d22 drun -->..mod\n-00001fa0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00001fb0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n-00001fc0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00001fd0: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74 gromacs_mdrun</t\n-00001fe0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00001ff0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00002000: 7265 6422 2064 3d22 4d31 3633 302e 322c red\" d=\"M1630.2,\n-00002010: 2d31 3038 342e 3539 4331 3632 382e 3239 -1084.59C1628.29\n-00002020: 2c2d 3130 3632 2e32 3120 3136 3331 2e35 ,-1062.21 1631.5\n-00002030: 362c 2d31 3031 342e 3134 2031 3633 312e 6,-1014.14 1631.\n-00002040: 3536 2c2d 3937 332e 3439 2031 3633 312e 56,-973.49 1631.\n-00002050: 3536 2c2d 3937 332e 3439 2031 3633 312e 56,-973.49 1631.\n-00002060: 3536 2c2d 3937 332e 3439 2031 3633 312e 56,-973.49 1631.\n-00002070: 3536 2c2d 3930 382e 3632 2031 3633 312e 56,-908.62 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module_src_gr\n-00002250: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00002260: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-00002270: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00002280: 786c 6962 202d 2d3e 0a3c 6720 6964 3d22 xlib -->.<g id=\"\n-00002290: 6564 6765 3131 2220 636c 6173 733d 2265 edge11\" class=\"e\n-000022a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000022b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000022c0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n-000022d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000022e0: 6772 6f6d 6163 735f 676d 786c 6962 3c2f gromacs_gmxlib</\n-000022f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00002300: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00002310: 2223 6266 6266 6266 2220 643d 224d 3136 \"#bfbfbf\" d=\"M16\n-00002320: 3432 2e35 392c 2d31 3038 342e 3937 4331 42.59,-1084.97C1\n-00002330: 3634 382e 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odule_src_gromac\n-00002420: 735f 6d64 7275 6e75 7469 6c69 7479 2623 s_mdrunutility&#\n-00002430: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00002440: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00002450: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-00002460: 6537 2220 636c 6173 733d 2265 6467 6522 e7\" class=\"edge\"\n-00002470: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00002480: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-00002490: 6e75 7469 6c69 7479 2623 3435 3b26 6774 nutility->\n-000024a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000024b0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n-000024c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000024d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n-000024e0: 6662 6662 6622 2064 3d22 4d31 3635 372e fbfbf\" d=\"M1657.\n-000024f0: 3731 2c2d 3130 3836 2e34 3743 3136 3736 71,-1086.47C1676\n-00002500: 2e35 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726f 6d61 6373 dule_src_gromacs\n-000028f0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline</ti\n-00002900: 746c 653e 0a3c 6720 6964 3d22 615f 6e6f tle>.<g id=\"a_no\n-00002910: 6465 3335 223e 3c61 2078 6c69 6e6b 3a68 de35\"><a xlink:h\n-00002920: 7265 663d 2267 726f 7570 5f5f 6d6f 6475 ref=\"group__modu\n-00002930: 6c65 5f5f 636f 6d6d 616e 646c 696e 652e le__commandline.\n-00002940: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-00002950: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-00002960: 3d22 636f 6d6d 616e 646c 696e 6522 3e0a =\"commandline\">.\n-00002970: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n-00002980: 6666 6534 6363 2220 7374 726f 6b65 3d22 ffe4cc\" stroke=\"\n-00002990: 626c 6163 6b22 2063 783d 2231 3335 312e black\" cx=\"1351.\n-000029a0: 3536 2220 6379 3d22 2d37 3231 2e30 3122 56\" cy=\"-721.01\"\n-000029b0: 2072 783d 2235 322e 3135 2220 7279 3d22 rx=\"52.15\" ry=\"\n-000029c0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 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7265 3c2f 7469 746c 653e hardware\n-00002fb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-000030b0: 0a3c 6720 6964 3d22 6e6f 6465 3130 2220 ..module_src_\n-000030e0: 6772 6f6d 6163 735f 7574 696c 6974 793c gromacs_utility<\n-000030f0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>...utility\n-00003220: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a ....\n-00003230: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mod\n-000032a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000032b0: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n-000032c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000032d0: 6d61 6373 5f75 7469 6c69 7479 3c2f 7469 macs_utility</ti\n-000032e0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-000032f0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00003300: 3263 6363 3238 2220 7374 726f 6b65 2d64 2ccc28\" stroke-d\n-00003310: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00003320: 3d22 4d32 3235 342e 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743e 0a3c 2f67 3e0a 3c21 n....\n-00003c90: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00003ca0: 635f 6772 6f6d 6163 735f 7461 626c 6573 c_gromacs_tables\n-00003cb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00003cc0: 7372 635f 6772 6f6d 6163 735f 6d64 7370 src_gromacs_mdsp\n-00003cd0: 616e 3c2f 7469 746c 653e 0a3c 7061 7468 an......modu\n-00003e30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00003e40: 6162 6c65 7326 2334 353b 2667 743b 6d6f ables->mo\n-00003e50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00003e60: 5f6d 6474 7970 6573 3c2f 7469 746c 653e _mdtypes\n-00003e70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n-00004070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00004080: 6162 6c65 7326 2334 353b 2667 743b 6d6f ables->mo\n-00004090: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000040a0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n-000040b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 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odule_src_gromac\n-000048c0: 735f 6770 755f 7574 696c 7320 2d2d 3e0a s_gpu_utils -->.\n-000048d0: 3c67 2069 643d 2265 6467 6532 3522 2063 <g id=\"edge25\" c\n-000048e0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n-000048f0: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n-00004900: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n-00004910: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-00004920: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00004930: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-00004940: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00004950: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n-00004960: 2064 3d22 4d32 3137 332e 3534 2c2d 3136 d=\"M2173.54,-16\n-00004970: 372e 3835 4332 3138 372e 3538 2c2d 3137 7.85C2187.58,-17\n-00004980: 362e 3935 2032 3230 362e 3735 2c2d 3139 6.95 2206.75,-19\n-00004990: 302e 3420 3232 3231 2e35 362c 2d32 3034 0.4 2221.56,-204\n-000049a0: 2e36 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6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00004b80: 6373 5f74 6162 6c65 733c 2f74 6974 6c65 cs_tables</title\n-00004b90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00004ba0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00004bb0: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00004bc0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00004bd0: 3231 3034 2e38 322c 2d31 3531 2e39 3943 2104.82,-151.99C\n-00004be0: 3138 3835 2e36 2c2d 3134 322e 3336 2031 1885.6,-142.36 1\n-00004bf0: 3030 372e 3732 2c2d 3130 332e 3831 2038 007.72,-103.81 8\n-00004c00: 3038 2e37 392c 2d39 352e 3037 222f 3e0a 08.79,-95.07\"/>.\n-00004c10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00004c20: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-00004c30: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" points=\n-00004c40: 2238 3038 2e39 312c 2d39 312e 3537 2037 \"808.91,-91.57 7\n-00004c50: 3938 2e37 372c 2d39 342e 3633 2038 3038 98.77,-94.63 808\n-00004c60: 2e36 2c2d 3938 2e35 3720 3830 382e 3931 .6,-98.57 808.91\n-00004c70: 2c2d 3931 2e35 3722 2f3e 0a3c 2f67 3e0a ,-91.57\"/>.</g>.\n-00004c80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00004c90: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-00004ca0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-00004cb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00004cc0: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67 _hardware -->.<g\n-00004cd0: 2069 643d 2265 6467 6532 3822 2063 6c61 id=\"edge28\" cla\n-00004ce0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00004cf0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-00004d00: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n-00004d10: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-00004d20: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-00004d30: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-00004d40: 7061 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735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n-00005150: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-00005160: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-00005170: 7265 6422 2064 3d22 4d32 3139 302e 3633 red\" d=\"M2190.63\n-00005180: 2c2d 3134 352e 3631 4332 3139 382e 3138 ,-145.61C2198.18\n-00005190: 2c2d 3134 342e 3235 2032 3230 362e 3039 ,-144.25 2206.09\n-000051a0: 2c2d 3134 322e 3920 3232 3133 2e35 362c ,-142.9 2213.56,\n-000051b0: 2d31 3431 2e37 3420 3233 3337 2e32 362c -141.74 2337.26,\n-000051c0: 2d31 3232 2e34 3620 3234 3834 2e37 372c -122.46 2484.77,\n-000051d0: 2d31 3035 2e30 3220 3235 3535 2e36 382c -105.02 2555.68,\n-000051e0: 2d39 372e 3339 222f 3e0a 3c70 6f6c 7967 -97.39\"/>.<polyg\n-000051f0: 6f6e 2066 696c 6c3d 2272 6564 2220 7374 on fill=\"red\" st\n-00005200: 726f 6b65 3d22 7265 6422 2070 6f69 6e74 roke=\"red\" point\n-00005210: 733d 2232 3535 362e 3431 2c2d 3130 302e s=\"2556.41,-100.\n-00005220: 3833 2032 3536 352e 3939 2c2d 3936 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odule_src_gromac\n-000057e0: 735f 6c69 7374 6564 5f66 6f72 6365 7326 s_listed_forces&\n-000057f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00005800: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n-00005810: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n-00005960: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00005970: 7263 5f67 726f 6d61 6373 5f6c 6973 7465 rc_gromacs_liste\n-00005980: 645f 666f 7263 6573 2623 3435 3b26 6774 d_forces->\n-00005990: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000059a0: 6163 735f 646f 6d64 6563 3c2f 7469 746c acs_domdec</titl\n-000059b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-000059c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-000059d0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-000059e0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-000059f0: 4d32 3135 312e 3338 2c2d 3136 382e 3631 M2151.38,-168.61\n-00005a00: 4332 3133 362e 3536 2c2d 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module_src_grom\n-00005af0: 6163 735f 6c69 6e65 6172 616c 6765 6272 acs_linearalgebr\n-00005b00: 6120 2d2d 3e0a 3c67 2069 643d 226e 6f64 a -->.<g id=\"nod\n-00005b10: 6539 2220 636c 6173 733d 226e 6f64 6522 e9\" class=\"node\"\n-00005b20: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00005b30: 7372 635f 6772 6f6d 6163 735f 6c69 6e65 src_gromacs_line\n-00005b40: 6172 616c 6765 6272 613c 2f74 6974 6c65 aralgebra</title\n-00005b50: 3e0a 3c65 6c6c 6970 7365 2066 696c 6c3d >.<ellipse fill=\n-00005b60: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00005b70: 3d22 626c 6163 6b22 2063 783d 2231 3838 =\"black\" cx=\"188\n-00005b80: 392e 3536 2220 6379 3d22 2d31 3232 332e 9.56\" cy=\"-1223.\n-00005b90: 3937 2220 7278 3d22 3530 2e34 3122 2072 97\" rx=\"50.41\" r\n-00005ba0: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-00005bb0: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-00005bc0: 6964 646c 6522 2078 3d22 3138 3839 2e35 iddle\" x=\"1889.5\n-00005bd0: 3622 2079 3d22 2d31 3232 312e 3437 2220 6\" y=\"-1221.47\" \n-00005be0: 666f 6e74 2d66 616d 696c 793d 2246 7265 font-family=\"Fre\n-00005bf0: 6553 616e 7322 2066 6f6e 742d 7369 7a65 eSans\" font-size\n-00005c00: 3d22 3130 2e30 3022 3e6c 696e 6561 7261 =\"10.00\">lineara\n-00005c10: 6c67 6562 7261 3c2f 7465 7874 3e0a 3c2f lgebra</text>.</\n-00005c20: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00005c30: 7263 5f67 726f 6d61 6373 5f75 7469 6c69 rc_gromacs_utili\n-00005c40: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n-00005c50: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00005c60: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069 u_utils -->.<g i\n-00005c70: 643d 2265 6467 6533 3022 2063 6c61 7373 d=\"edge30\" class\n-00005c80: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00005c90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00005ca0: 6373 5f75 7469 6c69 7479 2623 3435 3b26 cs_utility-&\n-00005cb0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00005cc0: 6f6d 6163 735f 6770 755f 7574 696c 733c omacs_gpu_utils<\n-00005cd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00005ce0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00005cf0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00005d00: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-00005d10: 2220 643d 224d 3233 3332 2e33 332c 2d31 \" d=\"M2332.33,-1\n-00005d20: 3032 362e 3237 4332 3331 312e 3138 2c2d 026.27C2311.18,-\n-00005d30: 3130 3136 2e39 3320 3232 3738 2e39 392c 1016.93 2278.99,\n-00005d40: 2d31 3030 312e 3334 2032 3235 362e 3139 -1001.34 2256.19\n-00005d50: 2c2d 3938 392e 3532 222f 3e0a 3c70 6f6c ,-989.52\"/>.<pol\n-00005d60: 7967 6f6e 2066 696c 6c3d 2223 3238 3266 ygon fill=\"#282f\n-00005d70: 6363 2220 7374 726f 6b65 3d22 2332 3832 cc\" stroke=\"#282\n-00005d80: 6663 6322 2070 6f69 6e74 733d 2232 3235 fcc\" points=\"225\n-00005d90: 372e 3533 2c2d 3938 362e 3237 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6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n-00005fb0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-00005fc0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-00005fd0: 3832 6663 6322 2064 3d22 4d32 3338 312e 82fcc\" d=\"M2381.\n-00005fe0: 3839 2c2d 3130 3333 2e30 3943 3234 3436 89,-1033.09C2446\n-00005ff0: 2e37 372c 2d31 3032 382e 3533 2032 3630 .77,-1028.53 260\n-00006000: 302e 3536 2c2d 3130 3037 2e35 2032 3630 0.56,-1007.5 260\n-00006010: 302e 3536 2c2d 3931 302e 3632 2032 3630 0.56,-910.62 260\n-00006020: 302e 3536 2c2d 3931 302e 3632 2032 3630 0.56,-910.62 260\n-00006030: 302e 3536 2c2d 3931 302e 3632 2032 3630 0.56,-910.62 260\n-00006040: 302e 3536 2c2d 3834 352e 3735 2032 3630 0.56,-845.75 260\n-00006050: 302e 3536 2c2d 3730 322e 3939 2032 3531 0.56,-702.99 251\n-00006060: 382e 3032 2c2d 3638 342e 3835 2032 3438 8.02,-684.85 248\n-00006070: 352e 3536 2c2d 3534 352e 3833 2032 3436 5.56,-545.83 246\n-00006080: 332e 3639 2c2d 3435 322e 3137 2032 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romacs_nbnxm-\n-00006bb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00006bc0: 6772 6f6d 6163 735f 6d64 7479 7065 733c gromacs_mdtypes<\n-00006bd0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....\n-00006db0: 0a3c 6720 6964 3d22 6564 6765 3335 2220 ..module_src_\n-00006de0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n-00006df0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00006e00: 5f67 726f 6d61 6373 5f6d 646c 6962 3c2f _gromacs_mdlib..\n-00006f20: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n-00006f90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00006fa0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n-00006fb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00006fc0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n-00006fd0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_grom\n-00007180: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald.\n-000071f0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 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7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00007bd0: 6669 6c65 696f 202d 2d3e 0a3c 6720 6964 fileio -->.<g id\n-00007be0: 3d22 6564 6765 3430 2220 636c 6173 733d =\"edge40\" class=\n-00007bf0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-00007c00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007c10: 735f 636f 7272 656c 6174 696f 6e66 756e s_correlationfun\n-00007c20: 6374 696f 6e73 2623 3435 3b26 6774 3b6d ctions->m\n-00007c30: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00007c40: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-00007c50: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n-00007de0: 7372 635f 6772 6f6d 6163 735f 636f 7272 src_gromacs_corr\n-00007df0: 656c 6174 696f 6e66 756e 6374 696f 6e73 elationfunctions\n-00007e00: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00007e10: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-00007e20: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n-00007e30: 3c70 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726f 6772 616d 735f 6d64 7275 6e5f 7465 rograms_mdrun_te\n+00002c40: 7374 7326 2334 353b 2667 743b 6d6f 6475 sts->modu\n+00002c50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+00002c60: 6172 6477 6172 6520 2d2d 3e0a 3c67 2069 ardware -->..module_src_prog\n+00002ca0: 7261 6d73 5f6d 6472 756e 5f74 6573 7473 rams_mdrun_tests\n+00002cb0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00002cc0: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+00002cd0: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware..\n+00002e50: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n+00002ef0: 0a3c 6720 6964 3d22 6e6f 6465 3322 2063 ..module_src_g\n+00002f20: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00002f30: 7263 6573 3c2f 7469 746c 653e 0a3c 6720 rces...listed_forces\n+00003070: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......modu\n+000030d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+000030e0: 626e 786d 3c2f 7469 746c 653e 0a3c 6720 bnxm...nbnxm.<\n+00003210: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....modu\n+00003290: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+000032a0: 6973 7465 645f 666f 7263 6573 2623 3435 isted_forces-\n+000032b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000032c0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm</t\n+000032d0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+000032e0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+000032f0: 7265 6422 2064 3d22 4d31 3430 322e 3937 red\" d=\"M1402.97\n+00003300: 2c2d 3130 3834 2e36 3143 3134 3031 2e38 ,-1084.61C1401.8\n+00003310: 382c 2d31 3037 372e 3237 2031 3430 312e 8,-1077.27 1401.\n+00003320: 3536 2c2d 3130 3637 2e37 3820 3134 3032 56,-1067.78 1402\n+00003330: 2c2d 3130 3539 2e31 3722 2f3e 0a3c 706f ,-1059.17\"/>.<po\n+00003340: 6c79 676f 6e20 6669 6c6c 3d22 7265 6422 lygon fill=\"red\"\n+00003350: 2073 7472 6f6b 653d 2272 6564 2220 706f stroke=\"red\" po\n+00003360: 696e 7473 3d22 3134 3035 2e35 312c 2d31 ints=\"1405.51,-1\n+00003370: 3035 392e 3234 2031 3430 322e 3937 2c2d 059.24 1402.97,-\n+00003380: 3130 3438 2e39 3520 3133 3938 2e35 342c 1048.95 1398.54,\n+00003390: 2d31 3035 382e 3538 2031 3430 352e 3531 -1058.58 1405.51\n+000033a0: 2c2d 3130 3539 2e32 3422 2f3e 0a3c 2f67 ,-1059.24\"/>.</g\n+000033b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000033c0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+000033d0: 202d 2d3e 0a3c 6720 6964 3d22 6e6f 6465 -->.<g id=\"node\n+000033e0: 3230 2220 636c 6173 733d 226e 6f64 6522 20\" class=\"node\"\n+000033f0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00003400: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00003410: 6962 3c2f 7469 746c 653e 0a3c 656c 6c69 ib..gm\n+000034d0: 786c 6962 3c2f 7465 7874 3e0a 3c2f 673e xlib.\n+000034e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+00003550: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00003560: 6373 5f6c 6973 7465 645f 666f 7263 6573 cs_listed_forces\n+00003570: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00003580: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00003590: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib....\n+00003700: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00003740: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00003750: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+00003760: 6573 3c2f 7469 746c 653e 0a3c 656c 6c69 es..\n+00003820: 6d64 7479 7065 733c 2f74 6578 743e 0a3c mdtypes.<\n+00003830: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+00003880: 0a3c 6720 6964 3d22 6564 6765 3422 2063 ..module_src_g\n+000038b0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+000038c0: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+000038d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000038e0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+000038f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 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666f 7263 6573 2623 3435 3b26 6774 d_forces->\n+000041f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00004200: 6163 735f 6770 755f 7574 696c 7320 2d2d acs_gpu_utils --\n+00004210: 3e0a 3c67 2069 643d 2265 6467 6535 2220 >.<g id=\"edge5\" \n+00004220: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00004230: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00004240: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+00004250: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+00004260: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00004270: 5f67 7075 5f75 7469 6c73 3c2f 7469 746c _gpu_utils</titl\n+00004280: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00004290: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+000042a0: 2220 643d 224d 3133 3733 2e35 332c 2d31 \" d=\"M1373.53,-1\n+000042b0: 3038 382e 3332 4331 3332 382e 3434 2c2d 088.32C1328.44,-\n+000042c0: 3130 3734 2e37 3520 3132 3532 2e30 352c 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3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00006040: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+00006050: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00006060: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00006070: 6266 6266 2220 643d 224d 3133 3738 2e37 bfbf\" d=\"M1378.7\n+00006080: 382c 2d31 3032 392e 3735 4331 3332 352e 8,-1029.75C1325.\n+00006090: 352c 2d31 3032 312e 3435 2031 3231 302e 5,-1021.45 1210.\n+000060a0: 3338 2c2d 3130 3033 2e32 3320 3131 3133 38,-1003.23 1113\n+000060b0: 2e35 362c 2d39 3835 2e39 3220 3936 382e .56,-985.92 968.\n+000060c0: 3733 2c2d 3936 302e 3033 2038 3839 2e34 73,-960.03 889.4\n+000060d0: 372c 2d31 3033 302e 3131 2037 3838 2e35 7,-1030.11 788.5\n+000060e0: 362c 2d39 3233 2e30 3520 3736 352e 342c 6,-923.05 765.4,\n+000060f0: 2d38 3938 2e34 3820 3737 382e 3536 2c2d -898.48 778.56,-\n+00006100: 3838 312e 3531 2037 3738 2e35 362c 2d38 881.51 778.56,-8\n+00006110: 3437 2e37 3520 3737 382e 3536 2c2d 3834 47.75 778.56,-84\n+00006120: 372e 3735 2037 3738 2e35 362c 2d38 3437 7.75 778.56,-847\n+00006130: 2e37 3520 3737 382e 3536 2c2d 3738 322e .75 778.56,-782.\n+00006140: 3838 2037 3738 2e35 362c 2d37 3437 2e35 88 778.56,-747.5\n+00006150: 2037 3833 2e34 382c 2d37 3036 2e37 2037 783.48,-706.7 7\n+00006160: 3837 2e30 322c 2d36 3831 2e39 3222 2f3e 87.02,-681.92\"/>\n+00006170: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00006180: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n+00006190: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n+000061a0: 3d22 3739 302e 3532 2c2d 3638 322e 3135 =\"790.52,-682.15\n+000061b0: 2037 3838 2e35 322c 2d36 3731 2e37 3420 788.52,-671.74 \n+000061c0: 3738 332e 362c 2d36 3831 2e31 3220 3739 783.6,-681.12 79\n+000061d0: 302e 3532 2c2d 3638 322e 3135 222f 3e0a 0.52,-682.15\"/>.\n+000061e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000061f0: 5f73 7263 5f67 726f 6d61 6373 5f6e 626e _src_gromacs_nbn\n+00006200: 786d 2623 3435 3b26 6774 3b6d 6f64 756c xm->modul\n+00006210: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00006220: 7479 7065 7320 2d2d 3e0a 3c67 2069 643d types -->.<g id=\n+00006230: 2265 6467 6531 3622 2063 6c61 7373 3d22 \"edge16\" class=\"\n+00006240: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00006250: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00006260: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n+00006270: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00006280: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+00006290: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000062a0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+000062b0: 2064 3d22 4d31 3337 362e 3034 2c2d 3130 d=\"M1376.04,-10\n+000062c0: 3334 2e35 3943 3133 3234 2e30 382c 2d31 34.59C1324.08,-1\n+000062d0: 3033 332e 3635 2031 3232 302e 3435 2c2d 033.65 1220.45,-\n+000062e0: 3130 3236 2e33 3220 3131 3434 2e35 362c 1026.32 1144.56,\n+000062f0: 2d39 3835 2e39 3220 3131 3337 2e33 372c -985.92 1137.37,\n+00006300: 2d39 3832 2e30 3920 3130 3633 2e33 322c -982.09 1063.32,\n+00006310: 2d39 3034 2e34 3820 3130 3238 2e30 352c -904.48 1028.05,\n+00006320: 2d38 3637 2e32 3922 2f3e 0a3c 706f 6c79 -867.29\"/>.<poly\n+00006330: 676f 6e20 6669 6c6c 3d22 7265 6422 2073 gon fill=\"red\" s\n+00006340: 7472 6f6b 653d 2272 6564 2220 706f 696e troke=\"red\" poin\n+00006350: 7473 3d22 3130 3330 2e31 382c 2d38 3634 ts=\"1030.18,-864\n+00006360: 2e34 3420 3130 3230 2e37 362c 2d38 3539 .44 1020.76,-859\n+00006370: 2e35 3920 3130 3235 2e31 2c2d 3836 392e .59 1025.1,-869.\n+00006380: 3236 2031 3033 302e 3138 2c2d 3836 342e 26 1030.18,-864.\n+00006390: 3434 222f 3e0a 3c2f 673e 0a3c 212d 2d20 44\"/>.</g>.<!-- \n+000063a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000063b0: 6373 5f6e 626e 786d 2623 3435 3b26 6774 cs_nbnxm->\n+000063c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000063d0: 6163 735f 6d64 6c69 6220 2d2d 3e0a 3c67 acs_mdlib -->.<g\n+000063e0: 2069 643d 2265 6467 6531 3822 2063 6c61 id=\"edge18\" cla\n+000063f0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00006400: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00006410: 6d61 6373 5f6e 626e 786d 2623 3435 3b26 macs_nbnxm-&\n+00006420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00006430: 6f6d 6163 735f 6d64 6c69 623c 2f74 6974 omacs_mdlib</tit\n+00006440: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00006450: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00006460: 6662 6662 6622 2064 3d22 4d31 3431 332e fbfbf\" d=\"M1413.\n+00006470: 3234 2c2d 3130 3231 2e38 3243 3134 3230 24,-1021.82C1420\n+00006480: 2e38 342c 2d31 3031 322e 3137 2031 3433 .84,-1012.17 143\n+00006490: 332e 3732 2c2d 3939 382e 3420 3134 3434 3.72,-998.4 1444\n+000064a0: 2e35 362c 2d39 3835 2e39 3220 3135 3031 .56,-985.92 1501\n+000064b0: 2e32 392c 2d39 3230 2e35 3820 3135 3634 .29,-920.58 1564\n+000064c0: 2e39 2c2d 3833 392e 3739 2031 3539 362e .9,-839.79 1596.\n+000064d0: 3737 2c2d 3830 332e 3736 222f 3e0a 3c70 77,-803.76\"/>.<p\n+000064e0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+000064f0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00006500: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+00006510: 3539 392e 3639 2c2d 3830 352e 3735 2031 599.69,-805.75 1\n+00006520: 3630 332e 3831 2c2d 3739 352e 3939 2031 603.81,-795.99 1\n+00006530: 3539 342e 352c 2d38 3031 2e30 3520 3135 594.5,-801.05 15\n+00006540: 3939 2e36 392c 2d38 3035 2e37 3522 2f3e 99.69,-805.75\"/>\n+00006550: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00006560: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00006570: 6e78 6d26 2334 353b 2667 743b 6d6f 6475 nxm->modu\n+00006580: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+00006590: 6f6d 6465 6320 2d2d 3e0a 3c67 2069 643d omdec -->.<g id=\n+000065a0: 2265 6467 6531 3922 2063 6c61 7373 3d22 \"edge19\" class=\"\n+000065b0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+000065c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000065d0: 5f6e 626e 786d 2623 3435 3b26 6774 3b6d _nbnxm->m\n+000065e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000065f0: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+00006600: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00006cc0: 0a3c 6720 6964 3d22 6564 6765 3230 2220 ..module_src_\n+00006cf0: 6772 6f6d 6163 735f 6e62 6e78 6d26 2334 gromacs_nbnxm\n+00006d00: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00006d10: 5f67 726f 6d61 6373 5f68 6172 6477 6172 _gromacs_hardwar\n+00006d20: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e..\n+00006d90: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n+00006e00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+00006e40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+00006e50: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00006e60: 6e73 3c2f 7469 746c 653e 0a3c 6720 6964 ns...\n+00006f80: 6f70 7469 6f6e 733c 2f74 6578 743e 0a3c options.<\n+00006f90: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....\n+00007000: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00007010: 635f 6772 6f6d 6163 735f 6666 7426 2334 c_gromacs_fft\n+00007020: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00007030: 5f67 726f 6d61 6373 5f67 7075 5f75 7469 _gromacs_gpu_uti\n+00007040: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls....<\n+00007230: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00007240: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00007250: 6e6d 656e 7420 2d2d 3e0a 3c67 2069 643d nment -->..mo\n+00007280: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007290: 5f74 6173 6b61 7373 6967 6e6d 656e 743c _taskassignment<\n+000072a0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+000072b0: 5f6e 6f64 6531 3022 3e3c 6120 786c 696e _node10\"><a xlin\n+000072c0: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+000072d0: 6f64 756c 655f 5f74 6173 6b61 7373 6967 odule__taskassig\n+000072e0: 6e6d 656e 742e 7868 746d 6c22 2074 6172 nment.xhtml\" tar\n+000072f0: 6765 743d 225f 746f 7022 2078 6c69 6e6b get=\"_top\" xlink\n+00007300: 3a74 6974 6c65 3d22 7461 736b 6173 7369 :title=\"taskassi\n+00007310: 676e 6d65 6e74 223e 0a3c 656c 6c69 7073 gnment\">.<ellips\n+00007320: 6520 6669 6c6c 3d22 2365 3563 6366 6622 e fill=\"#e5ccff\"\n+00007330: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00007340: 6378 3d22 3131 3836 2e35 3622 2063 793d cx=\"1186.56\" cy=\n+00007350: 222d 3238 302e 3932 2220 7278 3d22 3630 \"-280.92\" rx=\"60\n+00007360: 2e36 3222 2072 793d 2231 332e 3337 222f .62\" ry=\"13.37\"/\n+00007370: 3e0a 3c74 6578 7420 7465 7874 2d61 6e63 >.<text text-anc\n+00007380: 686f 723d 226d 6964 646c 6522 2078 3d22 hor=\"middle\" x=\"\n+00007390: 3131 3836 2e35 3622 2079 3d22 2d32 3738 1186.56\" y=\"-278\n+000073a0: 2e34 3222 2066 6f6e 742d 6661 6d69 6c79 .42\" font-family\n+000073b0: 3d22 4672 6565 5361 6e73 2220 666f 6e74 =\"FreeSans\" font\n+000073c0: 2d73 697a 653d 2231 302e 3030 223e 7461 -size=\"10.00\">ta\n+000073d0: 736b 6173 7369 676e 6d65 6e74 3c2f 7465 skassignment</te\n+000073e0: 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a 3c2f xt>.</a>.</g>.</\n+000073f0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00007400: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n+00007410: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n+00007420: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00007430: 6d61 6373 5f6c 6973 7465 645f 666f 7263 macs_listed_forc\n+00007440: 6573 202d 2d3e 0a3c 6720 6964 3d22 6564 es -->.<g id=\"ed\n+00007450: 6765 3332 2220 636c 6173 733d 2265 6467 ge32\" class=\"edg\n+00007460: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00007470: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+00007480: 736b 6173 7369 676e 6d65 6e74 2623 3435 skassignment-\n+00007490: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000074a0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n+000074b0: 6f72 6365 733c 2f74 6974 6c65 3e0a 3c70 orces..<\n+00007600: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00007610: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00007620: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00007630: 3133 3438 2e33 322c 2d31 3039 382e 3733 1348.32,-1098.73\n+00007640: 2031 3335 382e 3438 2c2d 3130 3935 2e37 1358.48,-1095.7\n+00007650: 3220 3133 3438 2e36 362c 2d31 3039 312e 2 1348.66,-1091.\n+00007660: 3733 2031 3334 382e 3332 2c2d 3130 3938 73 1348.32,-1098\n+00007670: 2e37 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d .73\"/>....mod\n+000076f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007700: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+00007710: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00007720: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+00007730: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......\n+000078e0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000078f0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n+00007900: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+00007910: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+00007920: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes....<\n+00007a40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00007a50: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00007a60: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+00007a70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007a80: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964 _mdlib -->..m\n+00007ab0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00007ac0: 735f 7461 736b 6173 7369 676e 6d65 6e74 s_taskassignment\n+00007ad0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00007ae0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+00007af0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n+00007bf0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module\n+00007ce0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+00007cf0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00007d00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00007d10: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec</t\n+00007d20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00007d30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00007d40: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00007d50: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00007d60: 643d 224d 3131 3938 2e38 332c 2d32 3637 d=\"M1198.83,-267\n+00007d70: 2e37 3143 3132 3136 2e38 342c 2d32 3530 .71C1216.84,-250\n+00007d80: 2e36 2031 3235 322e 3233 2c2d 3231 392e .6 1252.23,-219.\n+00007d90: 3835 2031 3238 382e 3536 2c2d 3230 342e 85 1288.56,-204.\n+00007da0: 3631 2031 3337 342e 3437 2c2d 3136 382e 61 1374.47,-168.\n+00007db0: 3537 2031 3438 342e 3431 2c2d 3135 392e 57 1484.41,-159.\n+00007dc0: 3137 2031 3534 352e 3435 2c2d 3135 362e 17 1545.45,-156.\n+00007dd0: 3833 222f 3e0a 3c70 6f6c 7967 6f6e 2066 83\"/>.<polygon f\n+00007de0: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n+00007df0: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n+00007e00: 6f69 6e74 733d 2231 3534 352e 3636 2c2d oints=\"1545.66,-\n+00007e10: 3136 302e 3332 2031 3535 352e 3534 2c2d 160.32 1555.54,-\n+00007e20: 3135 362e 3439 2031 3534 352e 3433 2c2d 156.49 1545.43,-\n+00007e30: 3135 332e 3332 2031 3534 352e 3636 2c2d 153.32 1545.66,-\n+00007e40: 3136 302e 3332 222f 3e0a 3c2f 673e 0a3c 160.32\"/>.</g>.<\n+00007e50: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00007e60: 726f 6d61 6373 5f74 6173 6b61 7373 6967 romacs_taskassig\n+00007e70: 6e6d 656e 7426 2334 353b 2667 743b 6d6f nment->mo\n+00007e80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00007e90: 5f67 7075 5f75 7469 6c73 202d 2d3e 0a3c _gpu_utils -->.<\n+00007ea0: 6720 6964 3d22 6564 6765 3236 2220 636c g id=\"edge26\" cl\n+00007eb0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00007ec0: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00007ed0: 6f6d 6163 735f 7461 736b 6173 7369 676e omacs_taskassign\n+00007ee0: 6d65 6e74 2623 3435 3b26 6774 3b6d 6f64 ment->mod\n+00007ef0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00007f00: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00007f10: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00007f20: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00007f30: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00007f40: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00007f50: 3131 3838 2e31 382c 2d32 3934 2e33 3543 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3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00008050: 3132 3535 2e32 352c 2d38 3838 2e39 3620 1255.25,-888.96 \n+00008060: 3132 3632 2e39 352c 2d38 3936 2e32 3320 1262.95,-896.23 \n+00008070: 3132 3631 2e34 372c 2d38 3835 2e37 3420 1261.47,-885.74 \n+00008080: 3132 3535 2e32 352c 2d38 3838 2e39 3622 1255.25,-888.96\"\n+00008090: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+000080a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000080b0: 7461 736b 6173 7369 676e 6d65 6e74 2623 taskassignment&#\n+000080c0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000080d0: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n+000080e0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+000080f0: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+00008100: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00008110: 7263 5f67 726f 6d61 6373 5f74 6173 6b61 rc_gromacs_taska\n+00008120: 7373 6967 6e6d 656e 7426 2334 353b 2667 ssignment-&g\n+00008130: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00008140: 6d61 6373 5f65 7761 6c64 3c2f 7469 746c macs_ewald</titl\n+00008150: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00008160: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00008170: 3266 6363 2220 643d 224d 3131 3437 2e30 2fcc\" d=\"M1147.0\n+00008180: 312c 2d32 3730 2e36 4331 3031 302e 3232 1,-270.6C1010.22\n+00008190: 2c2d 3233 382e 3337 2035 3538 2e34 372c ,-238.37 558.47,\n+000081a0: 2d31 3331 2e39 3220 3432 392e 3332 2c2d -131.92 429.32,-\n+000081b0: 3130 312e 3522 2f3e 0a3c 706f 6c79 676f 101.5\"/>.<polygo\n+000081c0: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+000081d0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000081e0: 2220 706f 696e 7473 3d22 3433 302e 3039 \" points=\"430.09\n+000081f0: 2c2d 3938 2e30 3820 3431 392e 3535 2c2d ,-98.08 419.55,-\n+00008200: 3939 2e31 3920 3432 382e 3438 2c2d 3130 99.19 428.48,-10\n+00008210: 342e 3839 2034 3330 2e30 392c 2d39 382e 4.89 430.09,-98.\n+00008220: 3038 222f 3e0a 3c2f 673e 0a3c 212d 2d20 08\"/>.</g>.<!-- \n+00008230: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008240: 6373 5f65 7373 656e 7469 616c 6479 6e61 cs_essentialdyna\n+00008250: 6d69 6373 202d 2d3e 0a3c 6720 6964 3d22 mics -->.<g id=\"\n+00008260: 6e6f 6465 3336 2220 636c 6173 733d 226e node36\" class=\"n\n+00008270: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+00008280: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00008290: 6573 7365 6e74 6961 6c64 796e 616d 6963 essentialdynamic\n+000082a0: 733c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 s..e\n+00008360: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00008370: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....module_\n+00008400: 7372 635f 6772 6f6d 6163 735f 7461 736b src_gromacs_task\n+00008410: 6173 7369 676e 6d65 6e74 2623 3435 3b26 assignment-&\n+00008420: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00008430: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n+00008440: 796e 616d 6963 733c 2f74 6974 6c65 3e0a ynamics.\n+00008450: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+000084d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n+000085c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000085d0: 5f74 6173 6b61 7373 6967 6e6d 656e 7426 _taskassignment&\n+000085e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000085f0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+00008600: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n+00008610: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module\n+000087e0: 5f73 7263 5f67 726f 6d61 6373 5f74 6173 _src_gromacs_tas\n+000087f0: 6b61 7373 6967 6e6d 656e 7426 2334 353b kassignment-\n+00008800: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00008810: 726f 6d61 6373 5f68 6172 6477 6172 653c romacs_hardware<\n+00008820: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00008830: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00008840: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00008850: 3138 342e 3938 2c2d 3239 342e 3633 4331 184.98,-294.63C1\n+00008860: 3137 372e 3934 2c2d 3335 312e 3239 2031 177.94,-351.29 1\n+00008870: 3134 392e 3739 2c2d 3537 382e 3136 2031 149.79,-578.16 1\n+00008880: 3134 392e 3536 2c2d 3538 312e 3833 2031 149.56,-581.83 1\n+00008890: 3134 302e 3036 2c2d 3733 362e 3434 2031 140.06,-736.44 1\n+000088a0: 3134 342e 3736 2c2d 3738 372e 3936 2031 144.76,-787.96 1\n+000088b0: 3232 302e 3536 2c2d 3932 332e 3035 2031 220.56,-923.05 1\n+000088c0: 3232 362e 3932 2c2d 3933 342e 3339 2031 226.92,-934.39 1\n+000088d0: 3233 362e 3636 2c2d 3934 342e 3931 2031 236.66,-944.91 1\n+000088e0: 3234 352e 3731 2c2d 3935 332e 3234 222f 245.71,-953.24\"/\n+000088f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00008900: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" 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6726 2334 353b 2667 743b _timing->\n+00008b20: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00008b30: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00008b40: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00008b50: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00008b60: 6266 6266 2220 643d 224d 3835 302e 3938 bfbf\" d=\"M850.98\n+00008b70: 2c2d 3930 302e 3738 4338 3832 2e30 352c ,-900.78C882.05,\n+00008b80: 2d38 3930 2e33 3920 3933 372e 3138 2c2d -890.39 937.18,-\n+00008b90: 3837 312e 3935 2039 3733 2e35 362c 2d38 871.95 973.56,-8\n+00008ba0: 3539 2e37 3922 2f3e 0a3c 706f 6c79 676f 59.79\"/>.<polygo\n+00008bb0: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00008bc0: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00008bd0: 2220 706f 696e 7473 3d22 3937 342e 3931 \" points=\"974.91\n+00008be0: 2c2d 3836 332e 3032 2039 3833 2e32 392c ,-863.02 983.29,\n+00008bf0: 2d38 3536 2e35 3320 3937 322e 3639 2c2d 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target=\"_t\n+00008ce0: 6f70 2220 786c 696e 6b3a 7469 746c 653d op\" xlink:title=\n+00008cf0: 2261 6e61 6c79 7369 7364 6174 6122 3e0a \"analysisdata\">.\n+00008d00: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n+00008d10: 6666 6363 6363 2220 7374 726f 6b65 3d22 ffcccc\" stroke=\"\n+00008d20: 626c 6163 6b22 2063 783d 2231 3837 312e black\" cx=\"1871.\n+00008d30: 3536 2220 6379 3d22 2d35 3935 2e32 3722 56\" cy=\"-595.27\"\n+00008d40: 2072 783d 2235 302e 3431 2220 7279 3d22 rx=\"50.41\" ry=\"\n+00008d50: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n+00008d60: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n+00008d70: 6c65 2220 783d 2231 3837 312e 3536 2220 le\" x=\"1871.56\" \n+00008d80: 793d 222d 3539 322e 3737 2220 666f 6e74 y=\"-592.77\" font\n+00008d90: 2d66 616d 696c 793d 2246 7265 6553 616e -family=\"FreeSan\n+00008da0: 7322 2066 6f6e 742d 7369 7a65 3d22 3130 s\" font-size=\"10\n+00008db0: 2e30 3022 3e61 6e61 6c79 7369 7364 6174 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7263 ...module\n+00009450: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+00009460: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+00009470: 655f 7372 635f 6772 6f6d 6163 735f 6e62 e_src_gromacs_nb\n+00009480: 6e78 6d3c 2f74 6974 6c65 3e0a 3c70 6174 nxm......\n+00009680: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00009690: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+000096a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000096b0: 6163 735f 6f70 7469 6f6e 733c 2f74 6974 acs_options</tit\n+000096c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000096d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+000096e0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+000096f0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00009700: 224d 3134 3331 2e34 2c2d 3430 312e 3443 \"M1431.4,-401.4C\n+00009710: 3133 3034 2e38 352c 2d33 3832 2e39 3120 1304.85,-382.91 \n+00009720: 3830 322e 3836 2c2d 3330 392e 3537 2036 802.86,-309.57 6\n+00009730: 3534 2e38 342c 2d32 3837 2e39 3522 2f3e 54.84,-287.95\"/>\n+00009740: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00009750: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00009760: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00009770: 3d22 3635 352e 3231 2c2d 3238 342e 3436 =\"655.21,-284.46\n+00009780: 2036 3434 2e38 312c 2d32 3836 2e34 3820 644.81,-286.48 \n+00009790: 3635 342e 322c 2d32 3931 2e33 3920 3635 654.2,-291.39 65\n+000097a0: 352e 3231 2c2d 3238 342e 3436 222f 3e0a 5.21,-284.46\"/>.\n+000097b0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+000097c0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+000097d0: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+000097e0: 655f 7372 635f 6772 6f6d 6163 735f 7461 e_src_gromacs_ta\n+000097f0: 736b 6173 7369 676e 6d65 6e74 202d 2d3e skassignment -->\n+00009800: 0a3c 6720 6964 3d22 6564 6765 3533 2220 .<g id=\"edge53\" \n+00009810: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00009820: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00009830: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n+00009840: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00009850: 5f67 726f 6d61 6373 5f74 6173 6b61 7373 _gromacs_taskass\n+00009860: 6967 6e6d 656e 743c 2f74 6974 6c65 3e0a ignment.\n+00009870: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n+000099c0: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+000099d0: 643c 2f74 6974 6c65 3e0a 3c67 2069 643d d...imd.\n+00009af0: 3c2f 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c ...<\n+00009b00: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009b10: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00009b20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00009b30: 6772 6f6d 6163 735f 696d 6420 2d2d 3e0a gromacs_imd -->.\n+00009b40: 3c67 2069 643d 2265 6467 6533 3722 2063 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6170 3c2f 7469 gromacs_swap</ti\n-00009ef0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00009f00: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00009f10: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-00009f20: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00009f30: 3d22 4d31 3533 392e 3233 2c2d 3432 302e =\"M1539.23,-420.\n-00009f40: 3132 4331 3533 392e 3032 2c2d 3434 352e 12C1539.02,-445.\n-00009f50: 3134 2031 3534 302e 3933 2c2d 3530 322e 14 1540.93,-502.\n-00009f60: 3738 2031 3536 302e 3536 2c2d 3534 352e 78 1560.56,-545.\n-00009f70: 3833 2031 3537 342e 3831 2c2d 3537 372e 83 1574.81,-577.\n-00009f80: 3120 3135 3737 2e37 372c 2d35 3838 2e34 1 1577.77,-588.4\n-00009f90: 3820 3136 3035 2e35 362c 2d36 3038 2e37 8 1605.56,-608.7\n-00009fa0: 2031 3634 382e 3138 2c2d 3633 392e 3731 1648.18,-639.71\n-00009fb0: 2031 3638 372e 3436 2c2d 3630 322e 3135 1687.46,-602.15\n-00009fc0: 2031 3731 382e 3536 2c2d 3634 342e 3720 1718.56,-644.7 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352e 3134 2031 3834 362e 3,-1155.14 1846.\n-0000a0c0: 3634 2c2d 3131 3439 2e33 3820 3138 3434 64,-1149.38 1844\n-0000a0d0: 2e39 392c 2d31 3135 362e 3138 222f 3e0a .99,-1156.18\"/>.\n-0000a0e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0000a0f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-0000a100: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n-0000a110: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000a120: 7275 6e75 7469 6c69 7479 202d 2d3e 0a3c runutility -->.<\n-0000a130: 6720 6964 3d22 6564 6765 3538 2220 636c g id=\"edge58\" cl\n-0000a140: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n-0000a150: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-0000a160: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n-0000a170: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000a180: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-0000a190: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity......modul\n-0000a470: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0000a480: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n-0000a490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-0000a4a0: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom......mo\n-0000a660: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000a670: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-0000a680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000a690: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n-0000a6a0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0000a6b0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0000a6c0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-0000a6d0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-0000a6e0: 224d 3135 3433 2e39 332c 2d34 3230 2e31 \"M1543.93,-420.1\n-0000a6f0: 3343 3135 3534 2e34 342c 2d34 3439 2e38 3C1554.44,-449.8\n-0000a700: 3120 3135 3831 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2334 353b 2667 743b 6d6f mdrun->mo\n-0000a8e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000a8f0: 5f68 6172 6477 6172 6520 2d2d 3e0a 3c67 _hardware -->.<g\n-0000a900: 2069 643d 2265 6467 6537 3822 2063 6c61 id=\"edge78\" cla\n-0000a910: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-0000a920: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-0000a930: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n-0000a940: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0000a950: 6f6d 6163 735f 6861 7264 7761 7265 3c2f omacs_hardware</\n-0000a960: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000a970: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000a980: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n-0000a990: 3439 2e31 352c 2d34 3139 2e38 3343 3135 49.15,-419.83C15\n-0000a9a0: 3734 2e34 372c 2d34 3531 2e37 3620 3136 74.47,-451.76 16\n-0000a9b0: 3435 2e36 332c 2d35 3430 2e31 3920 3137 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2623 3435 romacs_mdrun-\n-0000ab90: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000aba0: 6772 6f6d 6163 735f 6c69 7374 6564 5f66 gromacs_listed_f\n-0000abb0: 6f72 6365 7320 2d2d 3e0a 3c67 2069 643d orces -->.<g id=\n-0000abc0: 2265 6467 6536 3922 2063 6c61 7373 3d22 \"edge69\" class=\"\n-0000abd0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0000abe0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000abf0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-0000ac00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000ac10: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n-0000ac20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000ac30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0000ac40: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000ac50: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0000ac60: 2220 643d 224d 3135 3730 2e33 352c 2d34 \" d=\"M1570.35,-4\n-0000ac70: 3034 2e34 3643 3136 3639 2e36 312c 2d34 04.46C1669.61,-4\n-0000ac80: 3030 2e33 3220 3139 3736 2e36 392c 2d33 00.32 1976.69,-3\n-0000ac90: 3835 2e33 3620 3230 3130 2e35 362c 2d33 85.36 2010.56,-3\n-0000aca0: 3537 2e32 3220 3230 3634 2e39 352c 2d33 57.22 2064.95,-3\n-0000acb0: 3132 2e30 3320 3230 3039 2e39 342c 2d32 12.03 2009.94,-2\n-0000acc0: 3538 2e36 3420 3230 3535 2e35 362c 2d32 58.64 2055.56,-2\n-0000acd0: 3034 2e36 3120 3230 3639 2e38 322c 2d31 04.61 2069.82,-1\n-0000ace0: 3837 2e37 3320 3230 3931 2e33 362c 2d31 87.73 2091.36,-1\n-0000acf0: 3736 2e32 3220 3231 3130 2e37 312c 2d31 76.22 2110.71,-1\n-0000ad00: 3638 2e36 3722 2f3e 0a3c 706f 6c79 676f 68.67\"/>.<polygo\n-0000ad10: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n-0000ad20: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0000ad30: 2220 706f 696e 7473 3d22 3231 3132 2e30 \" points=\"2112.0\n-0000ad40: 392c 2d31 3731 2e39 2032 3132 302e 3239 9,-171.9 2120.29\n-0000ad50: 2c2d 3136 352e 3138 2032 3130 392e 3639 ,-165.18 2109.69\n-0000ad60: 2c2d 3136 352e 3332 2032 3131 322e 3039 ,-165.32 2112.09\n-0000ad70: 2c2d 3137 312e 3922 2f3e 0a3c 2f67 3e0a ,-171.9\"/>.</g>.\n-0000ad80: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-0000ad90: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-0000ada0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000adb0: 5f67 726f 6d61 6373 5f6e 626e 786d 202d _gromacs_nbnxm -\n-0000adc0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3737 ->.<g id=\"edge77\n-0000add0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0000ade0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0000adf0: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-0000ae00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000ae10: 7263 5f67 726f 6d61 6373 5f6e 626e 786d rc_gromacs_nbnxm\n-0000ae20: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n-0000aff0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-0000b000: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000b010: 6d61 6373 5f6f 7074 696f 6e73 3c2f 7469 macs_options....<\n-0000b120: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b130: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0000b140: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000b150: 6772 6f6d 6163 735f 7461 736b 6173 7369 gromacs_taskassi\n-0000b160: 676e 6d65 6e74 202d 2d3e 0a3c 6720 6964 gnment -->..m\n-0000b190: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000b1a0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n-0000b1b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000b1c0: 6373 5f74 6173 6b61 7373 6967 6e6d 656e cs_taskassignmen\n-0000b1d0: 743c 2f74 6974 6c65 3e0a 3c70 6174 6820 t..\n-0000b240: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ..<\n-0000b2b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000b2c0: 726f 6d61 6373 5f69 6d64 202d 2d3e 0a3c romacs_imd -->.<\n-0000b2d0: 6720 6964 3d22 6e6f 6465 3231 2220 636c g id=\"node21\" cl\n-0000b2e0: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0000b300: 6f6d 6163 735f 696d 643c 2f74 6974 6c65 omacs_imd...imd\n-0000b420: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......modu\n-0000b4a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0000b4b0: 6472 756e 2623 3435 3b26 6774 3b6d 6f64 drun->mod\n-0000b4c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000b4d0: 696d 643c 2f74 6974 6c65 3e0a 3c70 6174 imd....\n-0000b640: 0a3c 6720 6964 3d22 6564 6765 3637 2220 ..module_src_\n-0000b670: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-0000b680: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000b690: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n-0000b6a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n-0000b7a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-0000b890: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n-0000b8a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0000b8b0: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat....\n-0000ba30: 0a3c 6720 6964 3d22 6564 6765 3539 2220 ..module_src_\n-0000ba60: 6772 6f6d 6163 735f 6d64 7275 6e26 2334 gromacs_mdrun\n-0000ba70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000ba80: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n-0000ba90: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n-0000bc90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000bca0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-0000bcb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000bcc0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-0000bcd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-0000be00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n-0000be70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000be80: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n-0000be90: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000bea0: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n-0000beb0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-0000bff0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0000c000: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n-0000c010: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0000c020: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n-0000c030: 2d3e 0a3c 6720 6964 3d22 6564 6765 3634 ->..\n-0000c050: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0000c060: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n-0000c070: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0000c080: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0000c090: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......module_\n-0000c1f0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n-0000c200: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n-0000c210: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0000c220: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-0000c230: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-0000c340: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>..<\n-0000c370: 6720 6964 3d22 6e6f 6465 3337 2220 636c g id=\"node37\" cl\n-0000c380: 6173 733d 226e 6f64 6522 3e0a 3c74 6974 ass=\"node\">.module_src_gr\n-0000c3a0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-0000c3b0: 7263 6573 3c2f 7469 746c 653e 0a3c 656c rces..applied_forces\n-0000c480: 3c2f 7465 7874 3e0a 3c2f 673e 0a3c 212d ....mod\n-0000c500: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000c510: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n-0000c520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000c530: 5f61 7070 6c69 6564 5f66 6f72 6365 733c _applied_forces<\n-0000c540: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0000c550: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" 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class=\"node\">.<t\n-0000d360: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-0000d370: 6772 6f6d 6163 735f 7075 6c6c 696e 673c gromacs_pulling<\n-0000d380: 2f74 6974 6c65 3e0a 3c65 6c6c 6970 7365 /title>.<ellipse\n-0000d390: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n-0000d3a0: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n-0000d3b0: 783d 2231 3439 302e 3536 2220 6379 3d22 x=\"1490.56\" cy=\"\n-0000d3c0: 2d35 3332 2e34 2220 7278 3d22 3331 2e32 -532.4\" rx=\"31.2\n-0000d3d0: 3322 2072 793d 2231 332e 3337 222f 3e0a 3\" ry=\"13.37\"/>.\n-0000d3e0: 3c74 6578 7420 7465 7874 2d61 6e63 686f <text text-ancho\n-0000d3f0: 723d 226d 6964 646c 6522 2078 3d22 3134 r=\"middle\" x=\"14\n-0000d400: 3930 2e35 3622 2079 3d22 2d35 3239 2e39 90.56\" y=\"-529.9\n-0000d410: 2220 666f 6e74 2d66 616d 696c 793d 2246 \" font-family=\"F\n-0000d420: 7265 6553 616e 7322 2066 6f6e 742d 7369 reeSans\" font-si\n-0000d430: 7a65 3d22 3130 2e30 3022 3e70 756c 6c69 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rc_gromacs_appli\n-0000d660: 6564 5f66 6f72 6365 735f 6177 683c 2f74 ed_forces_awh</t\n-0000d670: 6974 6c65 3e0a 3c67 2069 643d 2261 5f6e itle>.<g id=\"a_n\n-0000d680: 6f64 6534 3822 3e3c 6120 786c 696e 6b3a ode48\"><a xlink:\n-0000d690: 6872 6566 3d22 6772 6f75 705f 5f6d 6f64 href=\"group__mod\n-0000d6a0: 756c 655f 5f61 7768 2e78 6874 6d6c 2220 ule__awh.xhtml\" \n-0000d6b0: 7461 7267 6574 3d22 5f74 6f70 2220 786c target=\"_top\" xl\n-0000d6c0: 696e 6b3a 7469 746c 653d 2261 7768 223e ink:title=\"awh\">\n-0000d6d0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 .<ellipse fill=\"\n-0000d6e0: 6e6f 6e65 2220 7374 726f 6b65 3d22 626c none\" stroke=\"bl\n-0000d6f0: 6163 6b22 2063 783d 2236 3334 2e35 3622 ack\" cx=\"634.56\"\n-0000d700: 2063 793d 222d 3834 362e 3735 2220 7278 cy=\"-846.75\" rx\n-0000d710: 3d22 3237 2220 7279 3d22 3133 2e33 3722 =\"27\" ry=\"13.37\"\n-0000d720: 2f3e 0a3c 7465 7874 2074 6578 742d 616e />.<text text-an\n-0000d730: 6368 6f72 3d22 6d69 6464 6c65 2220 783d chor=\"middle\" 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3435 3b26 6774 3b6d 6f64 drun->mod\n-0000d830: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000d840: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-0000d850: 7768 3c2f 7469 746c 653e 0a3c 7061 7468 wh.....\n-0000da50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000da60: 7263 5f67 726f 6d61 6373 5f63 6f6f 7264 rc_gromacs_coord\n-0000da70: 696e 6174 6569 6f3c 2f74 6974 6c65 3e0a inateio.\n-0000da80: 3c67 2069 643d 2261 5f6e 6f64 6532 3022 ..\n-0000dba0: 636f 6f72 6469 6e61 7465 696f 3c2f 7465 coordinateio.....<\n-0000dc10: 6720 6964 3d22 6564 6765 3831 2220 636c g id=\"edge81\" cl\n-0000dc20: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n-0000dc40: 6f6d 6163 735f 636f 6f72 6469 6e61 7465 omacs_coordinate\n-0000dc50: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-0000dc60: 655f 7372 635f 6772 6f6d 6163 735f 6f70 e_src_gromacs_op\n-0000dc70: 7469 6f6e 733c 2f74 6974 6c65 3e0a 3c70 tions...<\n-0000de60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...\n-0000ded0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000dee0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n-0000def0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000df00: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n-0000df10: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000df20: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000df30: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0000df40: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000df50: 2064 3d22 4d38 3139 2e34 362c 2d31 3638 d=\"M819.46,-168\n-0000df60: 2e30 3943 3738 322e 382c 2d32 3136 2e31 .09C782.8,-216.1\n-0000df70: 3220 3634 362e 312c 2d33 3935 2e39 2036 2 646.1,-395.9 6\n-0000df80: 3037 2e35 362c 2d34 3536 2e30 3920 3537 07.56,-456.09 57\n-0000df90: 382e 3532 2c2d 3530 312e 3435 2034 3430 8.52,-501.45 440\n-0000dfa0: 2e30 392c 2d37 3532 2e35 3220 3433 352e .09,-752.52 435.\n-0000dfb0: 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3039 362e 3035 1587.75,-1096.05\n-0000e0a0: 2031 3537 372e 3835 2c2d 3130 3932 2e32 1577.85,-1092.2\n-0000e0b0: 3820 3135 3737 2e36 362c 2d31 3039 392e 8 1577.66,-1099.\n-0000e0c0: 3238 222f 3e0a 3c2f 673e 0a3c 212d 2d20 28\"/>.</g>.<!-- \n-0000e0d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e0e0: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n-0000e0f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000e100: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-0000e110: 6964 3d22 6564 6765 3835 2220 636c 6173 id=\"edge85\" clas\n-0000e120: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0000e130: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0000e140: 6163 735f 696d 6426 2334 353b 2667 743b acs_imd->\n-0000e150: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e160: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-0000e170: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0000e180: 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6f6c 7967 782.41\"/>.<polyg\n-0000e270: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n-0000e280: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n-0000e290: 6622 2070 6f69 6e74 733d 2231 3737 382e f\" points=\"1778.\n-0000e2a0: 3731 2c2d 3738 352e 3931 2031 3738 382e 71,-785.91 1788.\n-0000e2b0: 3737 2c2d 3738 322e 3539 2031 3737 382e 77,-782.59 1778.\n-0000e2c0: 3833 2c2d 3737 382e 3931 2031 3737 382e 83,-778.91 1778.\n-0000e2d0: 3731 2c2d 3738 352e 3931 222f 3e0a 3c2f 71,-785.91\"/>.</\n-0000e2e0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0000e2f0: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n-0000e300: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000e310: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-0000e320: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n-0000e330: 6538 3822 2063 6c61 7373 3d22 6564 6765 e88\" class=\"edge\n-0000e340: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-0000e350: 5f73 7263 5f67 726f 6d61 6373 5f69 6d64 _src_gromacs_imd\n-0000e360: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0000e370: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n-0000e380: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes..<\n+00009f00: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00009f10: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00009f20: 224d 3134 3330 2e31 372c 2d34 3033 2e30 \"M1430.17,-403.0\n+00009f30: 3843 3133 3231 2e38 2c2d 3339 332e 3839 8C1321.8,-393.89\n+00009f40: 2039 3532 2e39 322c 2d33 3632 2e36 3220 952.92,-362.62 \n+00009f50: 3830 342e 3833 2c2d 3335 302e 3036 222f 804.83,-350.06\"/\n+00009f60: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >...<\n+00009fd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00009fe0: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+00009ff0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a000: 6772 6f6d 6163 735f 676d 786c 6962 202d gromacs_gmxlib -\n+0000a010: 2d3e 0a3c 6720 6964 3d22 6564 6765 3437 ->..\n+0000a030: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000a040: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0000a050: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000a060: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n+0000a070: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b.\n+0000a0e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0000a150: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n+0000a1c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000a1d0: 5f6d 6472 756e 2623 3435 3b26 6774 3b6d _mdrun->m\n+0000a1e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a1f0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n+0000a200: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0000a320: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+0000a390: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000a3a0: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+0000a3b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000a3c0: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+0000a3d0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+0000a3e0: 6f6e 6522 2073 7472 6f6b 653d 2272 6564 one\" stroke=\"red\n+0000a3f0: 2220 643d 224d 3134 3431 2e30 382c 2d34 \" d=\"M1441.08,-4\n+0000a400: 3137 2e32 3343 3134 3234 2e39 322c 2d34 17.23C1424.92,-4\n+0000a410: 3235 2e38 3420 3134 3031 2e39 392c 2d34 25.84 1401.99,-4\n+0000a420: 3339 2e36 3420 3133 3835 2e35 362c 2d34 39.64 1385.56,-4\n+0000a430: 3536 2e30 3920 3133 3731 2e37 312c 2d34 56.09 1371.71,-4\n+0000a440: 3639 2e39 3520 3132 3833 2e39 342c 2d36 69.95 1283.94,-6\n+0000a450: 3039 2e30 3920 3132 3634 2e35 362c 2d36 09.09 1264.56,-6\n+0000a460: 3434 2e37 2031 3232 382e 3839 2c2d 3731 44.7 1228.89,-71\n+0000a470: 302e 3235 2031 3235 312e 3731 2c2d 3734 0.25 1251.71,-74\n+0000a480: 392e 3333 2031 3139 342e 3536 2c2d 3739 9.33 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6220 2d2d 3e0a 3c67 2069 s_mdlib -->.<g i\n+0000a580: 643d 2265 6467 6535 3022 2063 6c61 7373 d=\"edge50\" class\n+0000a590: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0000a5a0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000a5b0: 6373 5f6d 6472 756e 2623 3435 3b26 6774 cs_mdrun->\n+0000a5c0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0000a5d0: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+0000a5e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+0000a5f0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n+0000a600: 2064 3d22 4d31 3437 312e 382c 2d34 3139 d=\"M1471.8,-419\n+0000a610: 2e33 3943 3134 3739 2e39 382c 2d34 3238 .39C1479.98,-428\n+0000a620: 2e36 3320 3134 3930 2e36 332c 2d34 3432 .63 1490.63,-442\n+0000a630: 2e32 3220 3134 3936 2e35 362c 2d34 3536 .22 1496.56,-456\n+0000a640: 2e30 3920 3135 3435 2e39 2c2d 3537 312e .09 1545.9,-571.\n+0000a650: 3532 2031 3437 362e 3139 2c2d 3632 392e 52 1476.19,-629.\n+0000a660: 3135 2031 3534 342e 3536 2c2d 3733 342e 15 1544.56,-734.\n+0000a670: 3434 2031 3535 342e 3735 2c2d 3735 302e 44 1554.75,-750.\n+0000a680: 3134 2031 3537 322c 2d37 3632 2031 3538 14 1572,-762 158\n+0000a690: 372e 3037 2c2d 3737 302e 3036 222f 3e0a 7.07,-770.06\"/>.\n+0000a6a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 <polygon fill=\"r\n+0000a6b0: 6564 2220 7374 726f 6b65 3d22 7265 6422 ed\" stroke=\"red\"\n+0000a6c0: 2070 6f69 6e74 733d 2231 3538 352e 3537 points=\"1585.57\n+0000a6d0: 2c2d 3737 332e 3233 2031 3539 362e 3038 ,-773.23 1596.08\n+0000a6e0: 2c2d 3737 342e 3539 2031 3538 382e 3731 ,-774.59 1588.71\n+0000a6f0: 2c2d 3736 362e 3937 2031 3538 352e 3537 ,-766.97 1585.57\n+0000a700: 2c2d 3737 332e 3233 222f 3e0a 3c2f 673e ,-773.23\"/>.</g>\n+0000a710: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0000a720: 5f67 726f 6d61 6373 5f6d 6472 756e 2623 _gromacs_mdrun&#\n+0000a730: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000a740: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+0000a750: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0000a760: 3536 2220 636c 6173 733d 2265 6467 6522 56\" class=\"edge\"\n+0000a770: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0000a780: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+0000a790: 6e26 2334 353b 2667 743b 6d6f 6475 6c65 n->module\n+0000a7a0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0000a7b0: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio....<\n+0000a900: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000a910: 726f 6d61 6373 5f6d 6472 756e 2623 3435 romacs_mdrun-\n+0000a920: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000a930: 6772 6f6d 6163 735f 646f 6d64 6563 202d gromacs_domdec -\n+0000a940: 2d3e 0a3c 6720 6964 3d22 6564 6765 3434 ->..\n+0000a960: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000a970: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0000a980: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000a990: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0000a9a0: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c.....\n+0000ab20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000ab30: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000ab40: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000ab50: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+0000ab60: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+0000ab70: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n+0000ac60: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+0000ac70: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+0000ac80: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+0000ac90: 3739 302e 3737 2c2d 3537 352e 3820 3738 790.77,-575.8 78\n+0000aca0: 332e 3139 2c2d 3538 332e 3220 3739 332e 3.19,-583.2 793.\n+0000acb0: 3734 2c2d 3538 322e 3134 2037 3930 2e37 74,-582.14 790.7\n+0000acc0: 372c 2d35 3735 2e38 222f 3e0a 3c2f 673e 7,-575.8\"/>.\n+0000acd0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0000ad20: 655f 7372 635f 6772 6f6d 6163 735f 7265 e_src_gromacs_re\n+0000ad30: 7374 7261 696e 743c 2f74 6974 6c65 3e0a straint.\n+0000ad40: 3c67 2069 643d 2261 5f6e 6f64 6533 3322 ..restraint\n+0000ae60: 3c2f 7465 7874 3e0a 3c2f 613e 0a3c 2f67 ......module_src_gro\n+0000aef0: 6d61 6373 5f6d 6472 756e 2623 3435 3b26 macs_mdrun-&\n+0000af00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000af10: 6f6d 6163 735f 7265 7374 7261 696e 743c omacs_restraint<\n+0000af20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.\n+0000afd0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+0000b040: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n+0000b0c0: 6163 735f 6d64 7275 6e26 2334 353b 2667 acs_mdrun-&g\n+0000b0d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0000b0e0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils.\n+0000b260: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n+0000b340: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000b350: 735f 6d64 7275 6e26 2334 353b 2667 743b s_mdrun->\n+0000b360: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000b370: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n+0000b380: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0000b410: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mod\n+0000b4f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000b500: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0000b510: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000b520: 5f65 7373 656e 7469 616c 6479 6e61 6d69 _essentialdynami\n+0000b530: 6373 3c2f 7469 746c 653e 0a3c 7061 7468 cs......module_\n+0000b680: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+0000b690: 633c 2f74 6974 6c65 3e0a 3c65 6c6c 6970 c..m\n+0000b750: 696d 6963 3c2f 7465 7874 3e0a 3c2f 673e imic.\n+0000b760: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0000b7c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000b7d0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n+0000b7e0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000b7f0: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+0000b800: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c......mo\n+0000b940: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000b950: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+0000b960: 723c 2f74 6974 6c65 3e0a 3c67 2069 643d r..<\n+0000b9e0: 656c 6c69 7073 6520 6669 6c6c 3d22 2365 ellipse fill=\"#e\n+0000b9f0: 3563 6366 6622 2073 7472 6f6b 653d 2262 5ccff\" stroke=\"b\n+0000ba00: 6c61 636b 2220 6378 3d22 3133 3330 2e35 lack\" cx=\"1330.5\n+0000ba10: 3622 2063 793d 222d 3334 332e 3739 2220 6\" cy=\"-343.79\" \n+0000ba20: 7278 3d22 3635 2e31 3122 2072 793d 2231 rx=\"65.11\" ry=\"1\n+0000ba30: 332e 3337 222f 3e0a 3c74 6578 7420 7465 3.37\"/>.modularsimul\n+0000baa0: 6174 6f72 3c2f 7465 7874 3e0a 3c2f 613e ator.\n+0000bab0: 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 .....mod\n+0000bb30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000bb40: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0000bb50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000bb60: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n+0000bb70: 723c 2f74 6974 6c65 3e0a 3c70 6174 6820 r..<\n+0000bbe0: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n+0000bbf0: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" stroke=\"red\" \n+0000bc00: 706f 696e 7473 3d22 3133 3631 2e32 312c points=\"1361.21,\n+0000bc10: 2d33 3538 2e31 3120 3133 3530 2e36 392c -358.11 1350.69,\n+0000bc20: 2d33 3536 2e37 3920 3133 3538 2e30 382c -356.79 1358.08,\n+0000bc30: 2d33 3634 2e33 3820 3133 3631 2e32 312c -364.38 1361.21,\n+0000bc40: 2d33 3538 2e31 3122 2f3e 0a3c 2f67 3e0a -358.11\"/>..\n+0000bc50: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+0000bc90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000bca0: 7263 5f67 726f 6d61 6373 5f70 756c 6c69 rc_gromacs_pulli\n+0000bcb0: 6e67 3c2f 7469 746c 653e 0a3c 656c 6c69 ng..pu\n+0000bd70: 6c6c 696e 673c 2f74 6578 743e 0a3c 2f67 lling....modul\n+0000bdf0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000be00: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+0000be10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f70 le_src_gromacs_p\n+0000be20: 756c 6c69 6e67 3c2f 7469 746c 653e 0a3c ulling.<\n+0000be30: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000be40: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000be50: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000be60: 6179 3d22 352c 3222 2064 3d22 4d31 3433 ay=\"5,2\" d=\"M143\n+0000be70: 342e 3134 2c2d 3339 392e 3433 4331 3339 4.14,-399.43C139\n+0000be80: 352e 3234 2c2d 3339 302e 3235 2031 3332 5.24,-390.25 132\n+0000be90: 302e 3237 2c2d 3337 322e 3532 2031 3235 0.27,-372.52 125\n+0000bea0: 362e 3536 2c2d 3335 372e 3232 2031 3135 6.56,-357.22 115\n+0000beb0: 372e 3234 2c2d 3333 332e 3337 2031 3034 7.24,-333.37 104\n+0000bec0: 302e 3133 2c2d 3330 342e 3820 3938 322e 0.13,-304.8 982.\n+0000bed0: 3431 2c2d 3239 302e 3639 222f 3e0a 3c70 41,-290.69\"/>....\n+0000bf90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000bfa0: 7263 5f67 726f 6d61 6373 5f73 7761 703c rc_gromacs_swap<\n+0000bfb0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n+0000bfc0: 5f6e 6f64 6534 3322 3e3c 6120 786c 696e _node43\"><a xlin\n+0000bfd0: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n+0000bfe0: 6f64 756c 655f 5f73 7761 702e 7868 746d odule__swap.xhtm\n+0000bff0: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n+0000c000: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7377 xlink:title=\"sw\n+0000c010: 6170 223e 0a3c 656c 6c69 7073 6520 6669 ap\">.<ellipse fi\n+0000c020: 6c6c 3d22 2365 3563 6366 6622 2073 7472 ll=\"#e5ccff\" str\n+0000c030: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+0000c040: 3137 3338 2e35 3622 2063 793d 222d 3334 1738.56\" cy=\"-34\n+0000c050: 332e 3739 2220 7278 3d22 3237 2e36 3522 3.79\" rx=\"27.65\"\n+0000c060: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+0000c070: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+0000c080: 226d 6964 646c 6522 2078 3d22 3137 3338 \"middle\" x=\"1738\n+0000c090: 2e35 3622 2079 3d22 2d33 3431 2e32 3922 .56\" y=\"-341.29\"\n+0000c0a0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+0000c0b0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+0000c0c0: 653d 2231 302e 3030 223e 7377 6170 3c2f e=\"10.00\">swap</\n+0000c0d0: 7465 7874 3e0a 3c2f 613e 0a3c 2f67 3e0a text>.</a>.</g>.\n+0000c0e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0000c0f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0000c100: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+0000c110: 655f 7372 635f 6772 6f6d 6163 735f 7377 e_src_gromacs_sw\n+0000c120: 6170 202d 2d3e 0a3c 6720 6964 3d22 6564 ap -->.<g id=\"ed\n+0000c130: 6765 3431 2220 636c 6173 733d 2265 6467 ge41\" class=\"edg\n+0000c140: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0000c150: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000c160: 7275 6e26 2334 353b 2667 743b 6d6f 6475 run->modu\n+0000c170: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+0000c180: 7761 703c 2f74 6974 6c65 3e0a 3c70 6174 wap...\n+0000c280: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..<\n+0000c2d0: 6720 6964 3d22 6564 6765 3338 2220 636c g id=\"edge38\" cl\n+0000c2e0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000c300: 6f6d 6163 735f 6d64 7275 6e26 2334 353b omacs_mdrun-\n+0000c310: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0000c320: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+0000c330: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity......\n+0000c480: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0000c490: 635f 6772 6f6d 6163 735f 6d64 7275 6e26 c_gromacs_mdrun&\n+0000c4a0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000c4b0: 7263 5f67 726f 6d61 6373 5f68 6172 6477 rc_gromacs_hardw\n+0000c4c0: 6172 653c 2f74 6974 6c65 3e0a 3c70 6174 are......module_src_grom\n+0000c720: 6163 735f 7261 6e64 6f6d 3c2f 7469 746c acs_random...random...\n+0000c860: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mod\n+0000c8d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000c8e0: 6d64 7275 6e26 2334 353b 2667 743b 6d6f mdrun->mo\n+0000c8f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000c900: 5f72 616e 646f 6d3c 2f74 6974 6c65 3e0a _random.\n+0000c910: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+0000ca60: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n+0000ca90: 3c67 2069 643d 226e 6f64 6535 3022 2063 .module_src_g\n+0000cac0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0000cad0: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh...\n+0000cb90: 3c74 6578 7420 7465 7874 2d61 6e63 686f awh<\n+0000cbf0: 2f74 6578 743e 0a3c 2f61 3e0a 3c2f 673e /text>..\n+0000cc00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+0000cc80: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n+0000cc90: 756e 2623 3435 3b26 6774 3b6d 6f64 756c un->modul\n+0000cca0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000ccb0: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+0000ccc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+0000ce80: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n+0000ce90: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n+0000cea0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000ceb0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+0000cec0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n+0000d0c0: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+0000d0d0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000d0e0: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n+0000d0f0: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es......modu\n+0000d2f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f69 le_src_gromacs_i\n+0000d300: 6d64 2623 3435 3b26 6774 3b6d 6f64 756c md->modul\n+0000d310: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000d320: 6c69 623c 2f74 6974 6c65 3e0a 3c70 6174 lib.\n+0000d480: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n+0000d560: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0000d570: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n+0000d580: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000d590: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+0000d5a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n+0000d750: 7372 635f 6772 6f6d 6163 735f 696d 6426 src_gromacs_imd&\n+0000d760: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000d770: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+0000d780: 633c 2f74 6974 6c65 3e0a 3c70 6174 6820 c....\n+0000d880: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..modul\n+0000d8f0: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+0000d900: 6426 2334 353b 2667 743b 6d6f 6475 6c65 d->module\n+0000d910: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0000d920: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+0000d930: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+0000da30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....mo\n+0000db10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000db20: 5f69 6d64 2623 3435 3b26 6774 3b6d 6f64 _imd->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 3536 352e 3134 2c2d 3935 2e31 =\"M1565.14,-95.1\n+0000dba0: 3843 3134 3934 2e32 322c 2d31 3031 2e31 8C1494.22,-101.1\n+0000dbb0: 3820 3132 3935 2e34 352c 2d31 3234 2e35 8 1295.45,-124.5\n+0000dbc0: 3220 3131 3534 2e35 362c 2d32 3034 2e36 2 1154.56,-204.6\n+0000dbd0: 3120 3131 3230 2e31 372c 2d32 3234 2e31 1 1120.17,-224.1\n+0000dbe0: 3620 3131 3039 2e35 352c 2d32 3332 2e32 6 1109.55,-232.2\n+0000dbf0: 3520 3130 3931 2e35 362c 2d32 3637 2e34 5 1091.56,-267.4\n+0000dc00: 3820 3130 3733 2e33 312c 2d33 3033 2e32 8 1073.31,-303.2\n+0000dc10: 3220 3130 3830 2e36 2c2d 3331 372e 3120 2 1080.6,-317.1 \n+0000dc20: 3130 3831 2e35 362c 2d33 3537 2e32 3220 1081.56,-357.22 \n+0000dc30: 3130 3832 2e32 332c 2d33 3835 2e31 3920 1082.23,-385.19 \n+0000dc40: 3130 3738 2e32 332c 2d33 3932 2e38 3420 1078.23,-392.84 \n+0000dc50: 3130 3834 2e35 362c 2d34 3230 2e30 3920 1084.56,-420.09 \n+0000dc60: 3130 3836 2e36 382c 2d34 3239 2e32 3320 1086.68,-429.23 \n+0000dc70: 3130 3930 2e34 372c 2d34 3338 2e38 3120 1090.47,-438.81 \n+0000dc80: 3130 3934 2e32 342c 2d34 3437 2e30 3122 1094.24,-447.01\"\n+0000dc90: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+0000dca0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0000dcb0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n+0000dcc0: 7473 3d22 3130 3931 2e32 2c2d 3434 382e ts=\"1091.2,-448.\n+0000dcd0: 3735 2031 3039 382e 3733 2c2d 3435 362e 75 1098.73,-456.\n+0000dce0: 3231 2031 3039 372e 3439 2c2d 3434 352e 21 1097.49,-445.\n+0000dcf0: 3638 2031 3039 312e 322c 2d34 3438 2e37 68 1091.2,-448.7\n+0000dd00: 3522 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 5\"/>.</g>.<!-- m\n+0000dd10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000dd20: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0000dd30: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000dd40: 7372 635f 6772 6f6d 6163 735f 6f70 7469 src_gromacs_opti\n+0000dd50: 6f6e 7320 2d2d 3e0a 3c67 2069 643d 2265 ons -->.<g id=\"e\n+0000dd60: 6467 6537 3122 2063 6c61 7373 3d22 6564 dge71\" class=\"ed\n+0000dd70: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000dd80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000dd90: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000dda0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ddb0: 5f67 726f 6d61 6373 5f6f 7074 696f 6e73 _gromacs_options\n+0000ddc0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n+0000deb0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n+0000df00: 0a3c 6720 6964 3d22 6564 6765 3735 2220 ..module_src_\n+0000df30: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+0000df40: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n+0000df50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000df60: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n+0000df70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+0000e0d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..<\n+0000e120: 6720 6964 3d22 6564 6765 3730 2220 636c g id=\"edge70\" cl\n+0000e130: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+0000e150: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0000e160: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n+0000e170: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0000e180: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+0000e190: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+0000e2c0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+0000e340: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0000e350: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0000e360: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000e370: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+0000e380: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess......\n-0000e580: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0000e590: 6373 5f69 6d64 2623 3435 3b26 6774 3b6d cs_imd->m\n-0000e5a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000e5b0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-0000e5c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-0000e6d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .\n-0000e8f0: 0a3c 6720 6964 3d22 6564 6765 3833 2220 ..module_src_\n-0000e920: 6772 6f6d 6163 735f 696d 6426 2334 353b gromacs_imd-\n-0000e930: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0000e940: 726f 6d61 6373 5f64 6f6d 6465 633c 2f74 romacs_domdec.....\n-0000eb40: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000eb50: 7263 5f67 726f 6d61 6373 5f69 6d64 2623 rc_gromacs_imd&#\n-0000eb60: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0000eb70: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-0000eb80: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline.\n-0000ec90: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n-0000ed00: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n-0000ed50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000ed60: 5f70 6263 7574 696c 3c2f 7469 746c 653e _pbcutil\n-0000ed70: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..pbcutil<\n-0000ee30: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>....module_\n-0000eeb0: 7372 635f 6772 6f6d 6163 735f 7062 6375 src_gromacs_pbcu\n-0000eec0: 7469 6c26 2334 353b 2667 743b 6d6f 6475 til->modu\n-0000eed0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000eee0: 7075 5f75 7469 6c73 3c2f 7469 746c 653e pu_utils\n-0000eef0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n-0000efd0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-0000f000: 3c67 2069 643d 226e 6f64 6532 3322 2063 .module_src_g\n-0000f030: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-0000f040: 7961 6e61 6c79 7369 733c 2f74 6974 6c65 yanalysis...\n-0000f180: 7472 616a 6563 746f 7279 616e 616c 7973 trajectoryanalys\n-0000f190: 6973 3c2f 7465 7874 3e0a 3c2f 613e 0a3c is..<\n-0000f1a0: 2f67 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f /g>....mo\n-0000f220: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000f230: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n-0000f240: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0000f250: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n-0000f260: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom.....\n-0000f420: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-0000f430: 7263 5f67 726f 6d61 6373 5f74 7261 6a65 rc_gromacs_traje\n-0000f440: 6374 6f72 7961 6e61 6c79 7369 7326 2334 ctoryanalysis\n-0000f450: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0000f460: 5f67 726f 6d61 6373 5f61 6e61 6c79 7369 _gromacs_analysi\n-0000f470: 7364 6174 613c 2f74 6974 6c65 3e0a 3c70 sdata...<\n-0000f570: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n-0000f5f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000f600: 735f 7472 616a 6563 746f 7279 616e 616c s_trajectoryanal\n-0000f610: 7973 6973 2623 3435 3b26 6774 3b6d 6f64 ysis->mod\n-0000f620: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f630: 636f 6f72 6469 6e61 7465 696f 3c2f 7469 coordinateio</ti\n-0000f640: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0000f650: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0000f660: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n-0000f670: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-0000f680: 3d22 4d31 3030 332e 3935 2c2d 3737 312e =\"M1003.95,-771.\n-0000f690: 3731 4339 3738 2e32 322c 2d37 3631 2e36 71C978.22,-761.6\n-0000f6a0: 3720 3934 302e 3331 2c2d 3734 362e 3838 7 940.31,-746.88\n-0000f6b0: 2039 3132 2e35 332c 2d37 3336 2e30 3422 912.53,-736.04\"\n-0000f6c0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-0000f6d0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0000f6e0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-0000f6f0: 7473 3d22 3931 332e 3736 2c2d 3733 322e ts=\"913.76,-732.\n-0000f700: 3736 2039 3033 2e31 372c 2d37 3332 2e33 76 903.17,-732.3\n-0000f710: 3920 3931 312e 3231 2c2d 3733 392e 3238 9 911.21,-739.28\n-0000f720: 2039 3133 2e37 362c 2d37 3332 2e37 3622 913.76,-732.76\"\n-0000f730: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n-0000f740: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0000f750: 676d 7861 6e61 202d 2d3e 0a3c 6720 6964 gmxana -->.<g id\n-0000f760: 3d22 6e6f 6465 3234 2220 636c 6173 733d =\"node24\" class=\n-0000f770: 226e 6f64 6522 3e0a 3c74 6974 6c65 3e6d \"node\">.<title>m\n-0000f780: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0000f790: 735f 676d 7861 6e61 3c2f 7469 746c 653e s_gmxana\n-0000f7a0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ....<\n+0000e5b0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0000e5c0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+0000e5d0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n+0000e5e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e5f0: 5f6d 646c 6962 202d 2d3e 0a3c 6720 6964 _mdlib -->..m\n+0000e620: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000e630: 735f 6170 706c 6965 645f 666f 7263 6573 s_applied_forces\n+0000e640: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0000e650: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+0000e660: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......mo\n+0000e8e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000e8f0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n+0000e900: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0000e910: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0000e920: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o..\n+0000ea20: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_\n+0000eb10: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0000eb20: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0000eb30: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000eb40: 6f6d 6163 735f 646f 6d64 6563 3c2f 7469 omacs_domdec</ti\n+0000eb50: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000eb60: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0000eb70: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+0000eb80: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+0000eb90: 3d22 4d37 3530 2e39 352c 2d33 3330 2e34 =\"M750.95,-330.4\n+0000eba0: 3943 3736 322e 3935 2c2d 3331 332e 3834 9C762.95,-313.84\n+0000ebb0: 2037 3836 2e35 352c 2d32 3834 2e32 3720 786.55,-284.27 \n+0000ebc0: 3831 332e 3536 2c2d 3236 372e 3438 2038 813.56,-267.48 8\n+0000ebd0: 3934 2e34 392c 2d32 3137 2e31 3720 3932 94.49,-217.17 92\n+0000ebe0: 342e 3939 2c2d 3232 322e 3720 3130 3138 4.99,-222.7 1018\n+0000ebf0: 2e35 362c 2d32 3034 2e36 3120 3132 3131 .56,-204.61 1211\n+0000ec00: 2e39 362c 2d31 3637 2e32 3220 3134 3437 .96,-167.22 1447\n+0000ec10: 2e36 332c 2d31 3538 2e37 2031 3534 352e .63,-158.7 1545.\n+0000ec20: 3532 2c2d 3135 362e 3735 222f 3e0a 3c70 52,-156.75\"/>.<p\n+0000ec30: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+0000ec40: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+0000ec50: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+0000ec60: 3534 352e 3732 2c2d 3136 302e 3235 2031 545.72,-160.25 1\n+0000ec70: 3535 352e 3636 2c2d 3135 362e 3536 2031 555.66,-156.56 1\n+0000ec80: 3534 352e 362c 2d31 3533 2e32 3520 3135 545.6,-153.25 15\n+0000ec90: 3435 2e37 322c 2d31 3630 2e32 3522 2f3e 45.72,-160.25\"/>\n+0000eca0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+0000ecb0: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+0000ecc0: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n+0000ecd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0000ece0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+0000ecf0: 696e 6520 2d2d 3e0a 3c67 2069 643d 2265 ine -->.<g id=\"e\n+0000ed00: 6467 6536 3822 2063 6c61 7373 3d22 6564 dge68\" class=\"ed\n+0000ed10: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+0000ed20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+0000ed30: 7070 6c69 6564 5f66 6f72 6365 7326 2334 pplied_forces\n+0000ed40: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+0000ed50: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n+0000ed60: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line..\n+0000ee10: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+0000ee80: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+0000ef00: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000ef10: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000ef20: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+0000ef30: 616c 643c 2f74 6974 6c65 3e0a 3c70 6174 ald......module_src_grom\n+0000f0e0: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+0000f0f0: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n+0000f100: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+0000f110: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility.\n+0000f1a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....module_\n+0000f290: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+0000f2a0: 6965 645f 666f 7263 6573 2623 3435 3b26 ied_forces-&\n+0000f2b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0000f2c0: 6f6d 6163 735f 7261 6e64 6f6d 3c2f 7469 omacs_random</ti\n+0000f2d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0000f2e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2262 \"none\" stroke=\"b\n+0000f2f0: 6c61 636b 2220 7374 726f 6b65 2d64 6173 lack\" stroke-das\n+0000f300: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+0000f310: 4d37 3937 2e31 382c 2d33 3430 2e30 3943 M797.18,-340.09C\n+0000f320: 3130 3034 2e38 392c 2d33 3239 2e38 3520 1004.89,-329.85 \n+0000f330: 3137 3433 2e35 312c 2d32 3933 2e34 3120 1743.51,-293.41 \n+0000f340: 3139 3332 2e33 342c 2d32 3834 2e31 222f 1932.34,-284.1\"/\n+0000f350: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+0000f360: 2262 6c61 636b 2220 7374 726f 6b65 3d22 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6563 746f 7279 616e 616c 7973 6973 3c2f ectoryanalysis</\n+0000f720: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+0000f730: 6e6f 6465 3136 223e 3c61 2078 6c69 6e6b node16\"><a xlink\n+0000f740: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+0000f750: 6475 6c65 5f5f 7472 616a 6563 746f 7279 dule__trajectory\n+0000f760: 616e 616c 7973 6973 2e78 6874 6d6c 2220 analysis.xhtml\" \n+0000f770: 7461 7267 6574 3d22 5f74 6f70 2220 786c target=\"_top\" xl\n+0000f780: 696e 6b3a 7469 746c 653d 2274 7261 6a65 ink:title=\"traje\n+0000f790: 6374 6f72 7961 6e61 6c79 7369 7322 3e0a ctoryanalysis\">.\n+0000f7a0: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 <ellipse fill=\"#\n+0000f7b0: 6666 6363 6363 2220 7374 726f 6b65 3d22 ffcccc\" stroke=\"\n+0000f7c0: 626c 6163 6b22 2063 783d 2231 3832 382e black\" cx=\"1828.\n+0000f7d0: 3536 2220 6379 3d22 2d36 3538 2e31 3422 56\" cy=\"-658.14\"\n+0000f7e0: 2072 783d 2236 352e 3131 2220 7279 3d22 rx=\"65.11\" ry=\"\n 0000f7f0: 3133 2e33 3722 2f3e 0a3c 7465 7874 2074 13.37\"/>.<text t\n 0000f800: 6578 742d 616e 6368 6f72 3d22 6d69 6464 ext-anchor=\"midd\n-0000f810: 6c65 2220 783d 2238 3832 2e35 3622 2079 le\" x=\"882.56\" y\n-0000f820: 3d22 2d39 3639 2e39 3922 2066 6f6e 742d =\"-969.99\" font-\n-0000f830: 6661 6d69 6c79 3d22 4672 6565 5361 6e73 family=\"FreeSans\n-0000f840: 2220 666f 6e74 2d73 697a 653d 2231 302e \" font-size=\"10.\n-0000f850: 3030 223e 676d 7861 6e61 3c2f 7465 7874 00\">gmxana</text\n-0000f860: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0000f870: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0000f880: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n-0000f890: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000f8a0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000f8b0: 616e 6120 2d2d 3e0a 3c67 2069 643d 2265 ana -->.<g id=\"e\n-0000f8c0: 6467 6539 3722 2063 6c61 7373 3d22 6564 dge97\" class=\"ed\n-0000f8d0: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-0000f8e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-0000f8f0: 7261 6a65 6374 6f72 7961 6e61 6c79 7369 rajectoryanalysi\n-0000f900: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0000f910: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-0000f920: 616e 613c 2f74 6974 6c65 3e0a 3c70 6174 ana......modu\n-0000fa70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0000fa80: 6d78 7072 6570 726f 6365 7373 3c2f 7469 mxpreprocess</ti\n-0000fa90: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n-0000faa0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n-0000fab0: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-0000fac0: 3130 3538 2e35 3622 2063 793d 222d 3131 1058.56\" cy=\"-11\n-0000fad0: 3631 2e31 2220 7278 3d22 3538 2e38 3822 61.1\" rx=\"58.88\"\n-0000fae0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n-0000faf0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n-0000fb00: 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5f67 726f 6d61 module_src_groma\n-0000fbf0: 6373 5f74 7261 6a65 6374 6f72 7961 6e61 cs_trajectoryana\n-0000fc00: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n-0000fc10: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0000fc20: 5f67 6d78 7072 6570 726f 6365 7373 3c2f _gmxpreprocess</\n-0000fc30: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0000fc40: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0000fc50: 2223 3263 6363 3238 2220 7374 726f 6b65 \"#2ccc28\" stroke\n-0000fc60: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0000fc70: 2064 3d22 4d39 3834 2e34 362c 2d37 3933 d=\"M984.46,-793\n-0000fc80: 2e30 3943 3835 352e 3739 2c2d 3831 372e .09C855.79,-817.\n-0000fc90: 3239 2035 3139 2e36 322c 2d38 3936 2e33 29 519.62,-896.3\n-0000fca0: 3920 3631 332e 3536 2c2d 3130 3438 2e37 9 613.56,-1048.7\n-0000fcb0: 3920 3635 332e 3432 2c2d 3131 3133 2e34 9 653.42,-1113.4\n-0000fcc0: 3620 3838 312e 3034 2c2d 3131 3433 2e35 6 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372e .5,-918.04 1887.\n-00011380: 3138 2c2d 3931 332e 3733 2031 3837 362e 18,-913.73 1876.\n-00011390: 3932 2c2d 3931 312e 3037 2031 3837 372e 92,-911.07 1877.\n-000113a0: 352c 2d39 3138 2e30 3422 2f3e 0a3c 2f67 5,-918.04\"/>.</g\n-000113b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-000113c0: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-000113d0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000113e0: 7372 635f 6772 6f6d 6163 735f 7374 6174 src_gromacs_stat\n-000113f0: 6973 7469 6373 202d 2d3e 0a3c 6720 6964 istics -->.<g id\n-00011400: 3d22 6564 6765 3130 3822 2063 6c61 7373 =\"edge108\" class\n-00011410: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n-00011420: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00011430: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-00011440: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00011450: 6d61 6373 5f73 7461 7469 7374 6963 733c macs_statistics<\n-00011460: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00011470: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00011480: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00011490: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-000114a0: 2220 643d 224d 3930 332e 3631 2c2d 3936 \" d=\"M903.61,-96\n-000114b0: 312e 3636 4339 3438 2e38 2c2d 3933 392e 1.66C948.8,-939.\n-000114c0: 3420 3130 3535 2e31 382c 2d38 3830 2e35 4 1055.18,-880.5\n-000114d0: 3120 3131 3036 2e35 362c 2d37 3937 2e33 1 1106.56,-797.3\n-000114e0: 3120 3131 3136 2e32 352c 2d37 3831 2e36 1 1116.25,-781.6\n-000114f0: 3120 3131 3139 2e38 352c 2d37 3630 2e38 1 1119.85,-760.8\n-00011500: 3820 3131 3231 2e31 312c 2d37 3435 2e31 8 1121.11,-745.1\n-00011510: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n-00011520: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n-00011530: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n-00011540: 696e 7473 3d22 3131 3234 2e36 332c 2d37 ints=\"1124.63,-7\n-00011550: 3434 2e38 3820 3131 3231 2e36 372c 2d37 44.88 1121.67,-7\n-00011560: 3334 2e37 3120 3131 3137 2e36 342c 2d37 34.71 1117.64,-7\n-00011570: 3434 2e35 3120 3131 3234 2e36 332c 2d37 44.51 1124.63,-7\n-00011580: 3434 2e38 3822 2f3e 0a3c 2f67 3e0a 3c21 44.88\"/>.</g>.<!\n-00011590: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n-000115a0: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n-000115b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000115c0: 6772 6f6d 6163 735f 6d64 6c69 6220 2d2d gromacs_mdlib --\n-000115d0: 3e0a 3c67 2069 643d 2265 6467 6531 3031 >.<g id=\"edge101\n-000115e0: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-000115f0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-00011600: 635f 6772 6f6d 6163 735f 676d 7861 6e61 c_gromacs_gmxana\n-00011610: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00011620: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00011630: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n-00011830: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_grom\n-00011920: 6163 735f 676d 7861 6e61 2623 3435 3b26 acs_gmxana-&\n-00011930: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00011940: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio.....\n-00011b20: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-00011b30: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n-00011b40: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n-00011b50: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00011b60: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n-00011b70: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....<\n-00011c90: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00011ca0: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n-00011cb0: 7920 2d2d 3e0a 3c67 2069 643d 226e 6f64 y -->..module\n-00011ce0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-00011cf0: 6a65 6374 6f72 793c 2f74 6974 6c65 3e0a jectory.\n-00011d00: 3c65 6c6c 6970 7365 2066 696c 6c3d 2223 .trajectory....\n-000120b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000120c0: 6373 5f67 6d78 616e 6126 2334 353b 2667 cs_gmxana-&g\n-000120d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000120e0: 6d61 6373 5f61 7070 6c69 6564 5f66 6f72 macs_applied_for\n-000120f0: 6365 735f 6177 683c 2f74 6974 6c65 3e0a ces_awh.\n-00012100: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-00012290: 3c67 2069 643d 2265 6467 6531 3135 2220 .module_src_\n-000122c0: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n-000122d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000122e0: 635f 6772 6f6d 6163 735f 7461 626c 6573 c_gromacs_tables\n-000122f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-00012570: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n-00012580: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00012590: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-000125a0: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types......\n-00012720: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-00012730: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n-00012740: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00012750: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-00012760: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module_src_grom\n-00012940: 6163 735f 676d 786c 6962 2623 3435 3b26 acs_gmxlib-&\n-00012950: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00012960: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n-00012970: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module_src_gr\n-00012b10: 6f6d 6163 735f 676d 786c 6962 2623 3435 omacs_gmxlib-\n-00012b20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00012b30: 6772 6f6d 6163 735f 6577 616c 643c 2f74 gromacs_ewald......module_src_gr\n-00012f50: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-00012f60: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00012f70: 7263 5f67 726f 6d61 6373 5f72 616e 646f rc_gromacs_rando\n-00012f80: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m......module_\n-00013180: 7372 635f 6772 6f6d 6163 735f 7365 6c65 src_gromacs_sele\n-00013190: 6374 696f 6e26 2334 353b 2667 743b 6d6f ction->mo\n-000131a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000131b0: 5f6f 6e6c 696e 6568 656c 703c 2f74 6974 _onlinehelp</tit\n-000131c0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000131d0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000131e0: 3832 6663 6322 2064 3d22 4d31 3633 302e 82fcc\" d=\"M1630.\n-000131f0: 3837 2c2d 3730 372e 3639 4331 3633 362e 87,-707.69C1636.\n-00013200: 3938 2c2d 3639 392e 3620 3136 3435 2e31 98,-699.6 1645.1\n-00013210: 322c 2d36 3838 2e38 3320 3136 3532 2e31 2,-688.83 1652.1\n-00013220: 372c 2d36 3739 2e34 3922 2f3e 0a3c 706f 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6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n-00013320: 6f6d 6163 735f 7365 6c65 6374 696f 6e26 omacs_selection&\n-00013330: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00013340: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n-00013350: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......module_src_grom\n-00013500: 6163 735f 6d64 7479 7065 7326 2334 353b acs_mdtypes-\n-00013510: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00013520: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n-00013530: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n-00013660: 6720 6964 3d22 6564 6765 3132 3122 2063 g id=\"edge121\" c\n-00013670: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00013690: 726f 6d61 6373 5f6d 6474 7970 6573 2623 romacs_mdtypes&#\n-000136a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000136b0: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-000136c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..<\n-00013850: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00013860: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00013870: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00013880: 3135 3732 2e37 322c 2d32 3137 2e36 3120 1572.72,-217.61 \n-00013890: 3135 3632 2e34 392c 2d32 3230 2e33 3520 1562.49,-220.35 \n-000138a0: 3135 3732 2e32 2c2d 3232 342e 3539 2031 1572.2,-224.59 1\n-000138b0: 3537 322e 3732 2c2d 3231 372e 3631 222f 572.72,-217.61\"/\n-000138c0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_src_gro\n-00013940: 6d61 6373 5f6d 6474 7970 6573 2623 3435 macs_mdtypes-\n-00013950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00013960: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio......m\n-00013da0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00013db0: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n-00013dc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00013dd0: 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_forces_awh</tit\n-00014090: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-000140a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-000140b0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n-000140c0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n-000140d0: 224d 3138 3835 2e39 342c 2d39 3037 2e33 \"M1885.94,-907.3\n-000140e0: 3143 3136 3831 2e38 372c 2d38 3939 2e39 1C1681.87,-899.9\n-000140f0: 3520 3731 362e 3938 2c2d 3836 332e 3836 5 716.98,-863.86\n-00014100: 2036 3836 2e35 362c 2d38 3630 2e31 3820 686.56,-860.18 \n-00014110: 3637 392e 3934 2c2d 3835 392e 3338 2036 679.94,-859.38 6\n-00014120: 3732 2e39 372c 2d38 3538 2e32 3420 3636 72.97,-858.24 66\n-00014130: 362e 3333 2c2d 3835 362e 3938 222f 3e0a 6.33,-856.98\"/>.\n-00014140: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-00014150: 3238 3266 6363 2220 7374 726f 6b65 3d22 282fcc\" stroke=\"\n-00014160: 2332 3832 6663 6322 2070 6f69 6e74 733d #282fcc\" 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655f 7372 635f 6772 gt;module_src_gr\n-00014260: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00014270: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty.trajectorya\n+0000f860: 6e61 6c79 7369 733c 2f74 6578 743e 0a3c nalysis.<\n+0000f870: 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a 3c21 /a>.....module_\n+0000f900: 7372 635f 6772 6f6d 6163 735f 7472 616a src_gromacs_traj\n+0000f910: 6563 746f 7279 616e 616c 7973 6973 2623 ectoryanalysis&#\n+0000f920: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0000f930: 635f 6772 6f6d 6163 735f 616e 616c 7973 c_gromacs_analys\n+0000f940: 6973 6461 7461 3c2f 7469 746c 653e 0a3c isdata.<\n+0000f950: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0000f960: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+0000f970: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+0000f980: 6179 3d22 352c 3222 2064 3d22 4d31 3833 ay=\"5,2\" d=\"M183\n+0000f990: 372e 3236 2c2d 3634 342e 3832 4331 3834 7.26,-644.82C184\n+0000f9a0: 322e 3932 2c2d 3633 362e 3831 2031 3835 2.92,-636.81 185\n+0000f9b0: 302e 3432 2c2d 3632 362e 3138 2031 3835 0.42,-626.18 185\n+0000f9c0: 362e 3938 2c2d 3631 362e 3931 222f 3e0a 6.98,-616.91\"/>.\n+0000f9d0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n+0000fc80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0000fc90: 5f74 7261 6a65 6374 6f72 7961 6e61 6c79 _trajectoryanaly\n+0000fca0: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n+0000fcb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+0000fcc0: 6f6f 7264 696e 6174 6569 6f3c 2f74 6974 oordinateio</tit\n+0000fcd0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0000fce0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0000fcf0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0000fd00: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0000fd10: 224d 3138 3133 2e35 382c 2d36 3434 2e38 \"M1813.58,-644.8\n+0000fd20: 3243 3138 3033 2e30 322c 2d36 3336 2e31 2C1803.02,-636.1\n+0000fd30: 3220 3137 3838 2e36 382c 2d36 3234 2e33 2 1788.68,-624.3\n+0000fd40: 3320 3137 3736 2e37 382c 2d36 3134 2e35 3 1776.78,-614.5\n+0000fd50: 3422 2f3e 0a3c 706f 6c79 676f 6e20 6669 4\"/>.<polygon fi\n+0000fd60: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0000fd70: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0000fd80: 696e 7473 3d22 3137 3738 2e39 362c 2d36 ints=\"1778.96,-6\n+0000fd90: 3131 2e38 2031 3736 392e 3031 2c2d 3630 11.8 1769.01,-60\n+0000fda0: 382e 3135 2031 3737 342e 3531 2c2d 3631 8.15 1774.51,-61\n+0000fdb0: 372e 3231 2031 3737 382e 3936 2c2d 3631 7.21 1778.96,-61\n+0000fdc0: 312e 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 1.8\"/>.</g>.<!--\n+0000fdd0: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0000fde0: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+0000fdf0: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+0000fe00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fe10: 735f 676d 7861 6e61 202d 2d3e 0a3c 6720 s_gmxana -->.<g \n+0000fe20: 6964 3d22 6564 6765 3837 2220 636c 6173 id=\"edge87\" clas\n+0000fe30: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0000fe40: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0000fe50: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+0000fe60: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+0000fe70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0000fe80: 735f 676d 7861 6e61 3c2f 7469 746c 653e s_gmxana\n+0000fe90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_\n+000100a0: 7372 635f 6772 6f6d 6163 735f 7374 6174 src_gromacs_stat\n+000100b0: 6973 7469 6373 3c2f 7469 746c 653e 0a3c istics.<\n+000100c0: 656c 6c69 7073 6520 6669 6c6c 3d22 2362 ellipse fill=\"#b\n+000100d0: 6662 6662 6622 2073 7472 6f6b 653d 2262 fbfbf\" stroke=\"b\n+000100e0: 6c61 636b 2220 6378 3d22 3136 3438 2e35 lack\" cx=\"1648.5\n+000100f0: 3622 2063 793d 222d 3539 352e 3237 2220 6\" cy=\"-595.27\" \n+00010100: 7278 3d22 3339 2e37 2220 7279 3d22 3133 rx=\"39.7\" ry=\"13\n+00010110: 2e33 3722 2f3e 0a3c 7465 7874 2074 6578 .37\"/>.statistics...<\n+000101e0: 6720 6964 3d22 6564 6765 3835 2220 636c g id=\"edge85\" cl\n+000101f0: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00010210: 6f6d 6163 735f 7472 616a 6563 746f 7279 omacs_trajectory\n+00010220: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+00010230: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00010240: 6163 735f 7374 6174 6973 7469 6373 3c2f acs_statistics....<\n+00010350: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00010360: 726f 6d61 6373 5f74 7261 6a65 6374 6f72 romacs_trajector\n+00010370: 7961 6e61 6c79 7369 7326 2334 353b 2667 yanalysis-&g\n+00010380: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00010390: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n+000103a0: 7373 202d 2d3e 0a3c 6720 6964 3d22 6564 ss -->..modul\n+000103d0: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+000103e0: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+000103f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00010400: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+00010410: 7265 7072 6f63 6573 733c 2f74 6974 6c65 reprocess</title\n+00010420: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00010430: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00010440: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+00010450: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00010460: 3138 3831 2e36 322c 2d36 3635 2e39 3843 1881.62,-665.98C\n+00010470: 3139 3430 2e30 382c 2d36 3735 2e35 3720 1940.08,-675.57 \n+00010480: 3230 3231 2e34 392c 2d36 3936 2e32 3820 2021.49,-696.28 \n+00010490: 3139 3836 2e35 362c 2d37 3334 2e34 3420 1986.56,-734.44 \n+000104a0: 3139 3235 2e32 352c 2d38 3031 2e34 3120 1925.25,-801.41 \n+000104b0: 3136 3635 2e39 322c 2d37 3432 2e34 3120 1665.92,-742.41 \n+000104c0: 3135 3739 2e35 362c 2d37 3730 2e34 3420 1579.56,-770.44 \n+000104d0: 3135 3237 2e38 322c 2d37 3837 2e32 3320 1527.82,-787.23 \n+000104e0: 3135 3134 2e39 2c2d 3739 362e 3833 2031 1514.9,-796.83 1\n+000104f0: 3437 342e 3536 2c2d 3833 332e 3331 2031 474.56,-833.31 1\n+00010500: 3436 332e 3532 2c2d 3834 332e 3320 3134 463.52,-843.3 14\n+00010510: 3637 2e33 322c 2d38 3532 2e35 2031 3435 67.32,-852.5 145\n+00010520: 342e 3536 2c2d 3836 302e 3138 2031 3336 4.56,-860.18 136\n+00010530: 342e 3431 2c2d 3931 342e 3434 2031 3239 4.41,-914.44 129\n+00010540: 342e 3537 2c2d 3832 312e 3339 2031 3232 4.57,-821.39 122\n+00010550: 302e 3536 2c2d 3839 362e 3138 2031 3130 0.56,-896.18 110\n+00010560: 342e 3438 2c2d 3130 3133 2e34 3820 3133 4.48,-1013.48 13\n+00010570: 3930 2e39 332c 2d31 3136 302e 3232 2031 90.93,-1160.22 1\n+00010580: 3439 332e 3631 2c2d 3132 3037 2e35 3222 493.61,-1207.52\"\n+00010590: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n+000105a0: 3d22 2332 6363 6332 3822 2073 7472 6f6b =\"#2ccc28\" strok\n+000105b0: 653d 2223 3263 6363 3238 2220 706f 696e e=\"#2ccc28\" poin\n+000105c0: 7473 3d22 3134 3932 2e34 312c 2d31 3231 ts=\"1492.41,-121\n+000105d0: 302e 3831 2031 3530 322e 3936 2c2d 3132 0.81 1502.96,-12\n+000105e0: 3131 2e37 3820 3134 3935 2e33 312c 2d31 11.78 1495.31,-1\n+000105f0: 3230 342e 3434 2031 3439 322e 3431 2c2d 204.44 1492.41,-\n+00010600: 3132 3130 2e38 3122 2f3e 0a3c 2f67 3e0a 1210.81\"/>.</g>.\n+00010610: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00010620: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00010630: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+00010640: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00010650: 6f6d 6163 735f 6669 6c65 696f 202d 2d3e omacs_fileio -->\n+00010660: 0a3c 6720 6964 3d22 6564 6765 3832 2220 .<g id=\"edge82\" \n+00010670: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00010680: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00010690: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+000106a0: 7279 616e 616c 7973 6973 2623 3435 3b26 ryanalysis-&\n+000106b0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000106c0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+000106d0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000106e0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000106f0: 6266 6266 6266 2220 643d 224d 3138 3731 bfbfbf\" d=\"M1871\n+00010700: 2e38 352c 2d36 3438 2e30 3943 3138 3933 .85,-648.09C1893\n+00010710: 2e34 332c 2d36 3431 2e31 3620 3139 3137 .43,-641.16 1917\n+00010720: 2e36 322c 2d36 3239 2e31 3620 3139 3330 .62,-629.16 1930\n+00010730: 2e35 362c 2d36 3038 2e37 2031 3934 312e .56,-608.7 1941.\n+00010740: 3532 2c2d 3539 312e 3337 2031 3933 302e 52,-591.37 1930.\n+00010750: 3835 2c2d 3536 382e 3938 2031 3931 392e 85,-568.98 1919.\n+00010760: 3836 2c2d 3535 332e 3133 222f 3e0a 3c70 86,-553.13\"/>.<p\n+00010770: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+00010780: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+00010790: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+000107a0: 3932 322e 3634 2c2d 3535 3120 3139 3133 922.64,-551 1913\n+000107b0: 2e38 362c 2d35 3435 2e30 3720 3139 3137 .86,-545.07 1917\n+000107c0: 2e30 332c 2d35 3535 2e31 3820 3139 3232 .03,-555.18 1922\n+000107d0: 2e36 342c 2d35 3531 222f 3e0a 3c2f 673e .64,-551\"/>.</g>\n+000107e0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+000107f0: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n+00010800: 6f72 7961 6e61 6c79 7369 7326 2334 353b oryanalysis-\n+00010810: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00010820: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00010830: 6e65 202d 2d3e 0a3c 6720 6964 3d22 6564 ne -->.<g id=\"ed\n+00010840: 6765 3830 2220 636c 6173 733d 2265 6467 ge80\" class=\"edg\n+00010850: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00010860: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00010870: 616a 6563 746f 7279 616e 616c 7973 6973 ajectoryanalysis\n+00010880: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00010890: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+000108a0: 616e 646c 696e 653c 2f74 6974 6c65 3e0a andline.\n+000108b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+00010a50: 6163 735f 7472 616a 6563 746f 7279 616e acs_trajectoryan\n+00010a60: 616c 7973 6973 2623 3435 3b26 6774 3b6d alysis->m\n+00010a70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00010a80: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n+00010a90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+00010c40: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+00010cb0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00010cc0: 6373 5f63 6f6f 7264 696e 6174 6569 6f26 cs_coordinateio&\n+00010cd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00010ce0: 7263 5f67 726f 6d61 6373 5f6f 7074 696f rc_gromacs_optio\n+00010cf0: 6e73 3c2f 7469 746c 653e 0a3c 7061 7468 ns......module_src_gro\n+00010ed0: 6d61 6373 5f73 656c 6563 7469 6f6e 3c2f macs_selection...\n+00011000: 7365 6c65 6374 696f 6e3c 2f74 6578 743e selection\n+00011010: 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 3e0a ....\n+00011020: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..\n+00011090: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000110a0: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+000110b0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000110c0: 6772 6f6d 6163 735f 6f6e 6c69 6e65 6865 gromacs_onlinehe\n+000110d0: 6c70 3c2f 7469 746c 653e 0a3c 7061 7468 lp..\n+00011140: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+00011220: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011230: 6373 5f73 656c 6563 7469 6f6e 2623 3435 cs_selection-\n+00011240: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00011250: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+00011260: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00011270: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00011280: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+00011290: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000112a0: 2220 643d 224d 3633 382e 3733 2c2d 3538 \" d=\"M638.73,-58\n+000112b0: 312e 3936 4336 3331 2e39 322c 2d35 3732 1.96C631.92,-572\n+000112c0: 2e36 3420 3632 332e 3432 2c2d 3535 392e .64 623.42,-559.\n+000112d0: 3220 3631 392e 3536 2c2d 3534 352e 3833 2 619.56,-545.83\n+000112e0: 2035 3934 2e36 362c 2d34 3539 2e35 3920 594.66,-459.59 \n+000112f0: 3630 342e 3335 2c2d 3335 302e 3834 2036 604.35,-350.84 6\n+00011300: 3130 2e32 372c 2d33 3034 2e34 3922 2f3e 10.27,-304.49\"/>\n+00011310: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n+00011320: 2332 3832 6663 6322 2073 7472 6f6b 653d #282fcc\" stroke=\n+00011330: 2223 3238 3266 6363 2220 706f 696e 7473 \"#282fcc\" points\n+00011340: 3d22 3631 332e 3737 2c2d 3330 342e 3733 =\"613.77,-304.73\n+00011350: 2036 3131 2e36 342c 2d32 3934 2e33 3520 611.64,-294.35 \n+00011360: 3630 362e 3834 2c2d 3330 332e 3739 2036 606.84,-303.79 6\n+00011370: 3133 2e37 372c 2d33 3034 2e37 3322 2f3e 13.77,-304.73\"/>\n+00011380: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+00011390: 655f 7372 635f 6772 6f6d 6163 735f 7365 e_src_gromacs_se\n+000113a0: 6c65 6374 696f 6e26 2334 353b 2667 743b lection->\n+000113b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000113c0: 6373 5f72 616e 646f 6d20 2d2d 3e0a 3c67 cs_random -->.<g\n+000113d0: 2069 643d 2265 6467 6539 3122 2063 6c61 id=\"edge91\" cla\n+000113e0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000113f0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00011400: 6d61 6373 5f73 656c 6563 7469 6f6e 2623 macs_selection&#\n+00011410: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00011420: 635f 6772 6f6d 6163 735f 7261 6e64 6f6d c_gromacs_random\n+00011430: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n+00011660: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00011670: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n+00011680: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011690: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+000116a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000116b0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000116c0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000116d0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000116e0: 2220 643d 224d 3135 3537 2e36 332c 2d31 \" d=\"M1557.63,-1\n+000116f0: 3135 312e 3337 4331 3532 382e 3732 2c2d 151.37C1528.72,-\n+00011700: 3131 3431 2e32 3620 3134 3830 2e37 342c 1141.26 1480.74,\n+00011710: 2d31 3132 342e 3438 2031 3434 372e 3033 -1124.48 1447.03\n+00011720: 2c2d 3131 3132 2e36 3922 2f3e 0a3c 706f ,-1112.69\"/>.<po\n+00011730: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+00011740: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+00011750: 3266 6363 2220 706f 696e 7473 3d22 3134 2fcc\" points=\"14\n+00011760: 3438 2e31 2c2d 3131 3039 2e33 3520 3134 48.1,-1109.35 14\n+00011770: 3337 2e35 2c2d 3131 3039 2e33 3520 3134 37.5,-1109.35 14\n+00011780: 3435 2e37 392c 2d31 3131 352e 3936 2031 45.79,-1115.96 1\n+00011790: 3434 382e 312c 2d31 3130 392e 3335 222f 448.1,-1109.35\"/\n+000117a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+000117b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000117c0: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+000117d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000117e0: 5f63 6f72 7265 6c61 7469 6f6e 6675 6e63 _correlationfunc\n+000117f0: 7469 6f6e 7320 2d2d 3e0a 3c67 2069 643d tions -->.<g id=\n+00011800: 2265 6467 6539 3422 2063 6c61 7373 3d22 \"edge94\" class=\"\n+00011810: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+00011820: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00011830: 5f67 6d78 616e 6126 2334 353b 2667 743b _gmxana->\n+00011840: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00011850: 6373 5f63 6f72 7265 6c61 7469 6f6e 6675 cs_correlationfu\n+00011860: 6e63 7469 6f6e 733c 2f74 6974 6c65 3e0a nctions.\n+00011870: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....<\n+00011a30: 6720 6964 3d22 6564 6765 3130 3422 2063 g id=\"edge104\" c\n+00011a40: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00011a60: 726f 6d61 6373 5f67 6d78 616e 6126 2334 romacs_gmxana\n+00011a70: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00011a80: 5f67 726f 6d61 6373 5f66 6674 3c2f 7469 _gromacs_fft..\n+00011c30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00011ca0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011cb0: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00011cc0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00011cd0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib</titl\n+00011ce0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00011cf0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00011d00: 6266 6266 2220 643d 224d 3135 3437 2e31 bfbf\" d=\"M1547.1\n+00011d10: 392c 2d31 3136 302e 3434 4331 3430 332e 9,-1160.44C1403.\n+00011d20: 3732 2c2d 3131 3631 2e31 2038 3637 2e30 72,-1161.1 867.0\n+00011d30: 312c 2d31 3135 362e 3236 2037 3435 2e35 1,-1156.26 745.5\n+00011d40: 362c 2d31 3034 382e 3739 2036 3838 2e37 6,-1048.79 688.7\n+00011d50: 372c 2d39 3938 2e35 3420 3730 392e 3632 7,-998.54 709.62\n+00011d60: 2c2d 3737 352e 3338 2037 3433 2e35 362c ,-775.38 743.56,\n+00011d70: 2d37 3037 2e35 3720 3734 392e 342c 2d36 -707.57 749.4,-6\n+00011d80: 3935 2e39 2037 3539 2e30 362c 2d36 3835 95.9 759.06,-685\n+00011d90: 2e32 3220 3736 382e 312c 2d36 3736 2e38 .22 768.1,-676.8\n+00011da0: 3722 2f3e 0a3c 706f 6c79 676f 6e20 6669 7\"/>.<polygon fi\n+00011db0: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00011dc0: 6f6b 653d 2223 6266 6266 6266 2220 706f oke=\"#bfbfbf\" po\n+00011dd0: 696e 7473 3d22 3737 302e 3534 2c2d 3637 ints=\"770.54,-67\n+00011de0: 392e 3338 2037 3735 2e37 382c 2d36 3730 9.38 775.78,-670\n+00011df0: 2e31 3720 3736 352e 3934 2c2d 3637 342e .17 765.94,-674.\n+00011e00: 3131 2037 3730 2e35 342c 2d36 3739 2e33 11 770.54,-679.3\n+00011e10: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>.</g>.<!-- m\n+00011e20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00011e30: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00011e40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00011e50: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n+00011e60: 3c67 2069 643d 2265 6467 6531 3030 2220 <g id=\"edge100\" \n+00011e70: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00011e80: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00011e90: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+00011ea0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00011eb0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00011ec0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......modu\n+00012050: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00012060: 6d78 616e 6126 2334 353b 2667 743b 6d6f mxana->mo\n+00012070: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00012080: 5f73 7461 7469 7374 6963 733c 2f74 6974 _statistics</tit\n+00012090: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000120a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+000120b0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+000120c0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000120d0: 224d 3135 3736 2e37 392c 2d31 3134 372e \"M1576.79,-1147.\n+000120e0: 3736 4331 3536 372e 3039 2c2d 3131 3235 76C1567.09,-1125\n+000120f0: 2e38 3420 3135 3438 2e35 362c 2d31 3037 .84 1548.56,-107\n+00012100: 382e 3436 2031 3534 382e 3536 2c2d 3130 8.46 1548.56,-10\n+00012110: 3336 2e33 3620 3135 3438 2e35 362c 2d31 36.36 1548.56,-1\n+00012120: 3033 362e 3336 2031 3534 382e 3536 2c2d 036.36 1548.56,-\n+00012130: 3130 3336 2e33 3620 3135 3438 2e35 362c 1036.36 1548.56,\n+00012140: 2d39 3731 2e34 3920 3135 3438 2e35 362c -971.49 1548.56,\n+00012150: 2d38 3831 2e30 3820 3135 3336 2e31 392c -881.08 1536.19,\n+00012160: 2d38 3439 2e37 3720 3135 3739 2e35 362c -849.77 1579.56,\n+00012170: 2d37 3730 2e34 3420 3136 3131 2e34 312c -770.44 1611.41,\n+00012180: 2d37 3132 2e31 3820 3136 3634 2e32 362c -712.18 1664.26,\n+00012190: 2d37 3332 2e31 2031 3639 312e 3536 2c2d -732.1 1691.56,-\n+000121a0: 3637 312e 3537 2031 3639 362e 3437 2c2d 671.57 1696.47,-\n+000121b0: 3636 302e 3638 2031 3639 352e 382c 2d36 660.68 1695.8,-6\n+000121c0: 3535 2e38 3620 3136 3931 2e35 362c 2d36 55.86 1691.56,-6\n+000121d0: 3434 2e37 2031 3638 372e 3238 2c2d 3633 44.7 1687.28,-63\n+000121e0: 332e 3433 2031 3637 392e 3035 2c2d 3632 3.43 1679.05,-62\n+000121f0: 332e 3131 2031 3637 302e 3932 2c2d 3631 3.11 1670.92,-61\n+00012200: 342e 3932 222f 3e0a 3c70 6f6c 7967 6f6e 4.92\"/>.<polygon\n+00012210: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+00012220: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+00012230: 2070 6f69 6e74 733d 2231 3637 332e 3238 points=\"1673.28\n+00012240: 2c2d 3631 322e 3333 2031 3636 332e 362c ,-612.33 1663.6,\n+00012250: 2d36 3038 2e30 3220 3136 3638 2e34 382c -608.02 1668.48,\n+00012260: 2d36 3137 2e34 3320 3136 3733 2e32 382c -617.43 1673.28,\n+00012270: 2d36 3132 2e33 3322 2f3e 0a3c 2f67 3e0a -612.33\"/>.</g>.\n+00012280: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00012290: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+000122a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000122b0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+000122c0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6539 -->.<g id=\"edge9\n+000122d0: 3522 2063 6c61 7373 3d22 6564 6765 223e 5\" class=\"edge\">\n+000122e0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+000122f0: 7263 5f67 726f 6d61 6373 5f67 6d78 616e rc_gromacs_gmxan\n+00012300: 6126 2334 353b 2667 743b 6d6f 6475 6c65 a->module\n+00012310: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00012320: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib...<\n+00012470: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+000124e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000124f0: 676d 7861 6e61 2623 3435 3b26 6774 3b6d gmxana->m\n+00012500: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012510: 735f 6669 6c65 696f 3c2f 7469 746c 653e s_fileio\n+00012520: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+00012620: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ..\n+000126e0: 0a3c 6720 6964 3d22 6564 6765 3932 2220 ..module_src_\n+00012710: 6772 6f6d 6163 735f 676d 7861 6e61 2623 gromacs_gmxana&#\n+00012720: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00012730: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00012740: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline..\n+000128c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n+00012910: 6720 6964 3d22 6564 6765 3936 2220 636c g id=\"edge96\" cl\n+00012920: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.module_src_gr\n+00012940: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00012950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00012960: 6772 6f6d 6163 735f 7472 616a 6563 746f gromacs_trajecto\n+00012970: 7279 3c2f 7469 746c 653e 0a3c 7061 7468 ry...\n+00012af0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module\n+00012b60: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00012b70: 616e 6126 2334 353b 2667 743b 6d6f 6475 ana->modu\n+00012b80: 6c65 5f73 7263 5f67 726f 6d61 6373 5f72 le_src_gromacs_r\n+00012b90: 616e 646f 6d3c 2f74 6974 6c65 3e0a 3c70 andom.\n+00012d40: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00012db0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00012e20: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00012e30: 735f 676d 7861 6e61 2623 3435 3b26 6774 s_gmxana->\n+00012e40: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00012e50: 6163 735f 6d64 7370 616e 3c2f 7469 746c acs_mdspan</titl\n+00012e60: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00012e70: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+00012e80: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+00012e90: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+00012ea0: 4d31 3631 372e 3837 2c2d 3131 3539 2e30 M1617.87,-1159.0\n+00012eb0: 3543 3137 3534 2e37 362c 2d31 3135 342e 5C1754.76,-1154.\n+00012ec0: 3820 3232 3436 2c2d 3131 3337 2e38 3520 8 2246,-1137.85 \n+00012ed0: 3233 3130 2e35 362c 2d31 3131 312e 3636 2310.56,-1111.66\n+00012ee0: 2032 3531 352e 3633 2c2d 3130 3238 2e34 2515.63,-1028.4\n+00012ef0: 3820 3236 3230 2e35 362c 2d39 3433 2e33 8 2620.56,-943.3\n+00012f00: 3120 3236 3230 2e35 362c 2d37 3232 2e30 1 2620.56,-722.0\n+00012f10: 3120 3236 3230 2e35 362c 2d37 3232 2e30 1 2620.56,-722.0\n+00012f20: 3120 3236 3230 2e35 362c 2d37 3232 2e30 1 2620.56,-722.0\n+00012f30: 3120 3236 3230 2e35 362c 2d36 3537 2e31 1 2620.56,-657.1\n+00012f40: 3420 3236 3230 2e35 362c 2d35 3735 2e33 4 2620.56,-575.3\n+00012f50: 3320 3234 3539 2e39 382c 2d33 3637 2e34 3 2459.98,-367.4\n+00012f60: 3120 3234 3037 2e37 352c 2d33 3031 2e39 1 2407.75,-301.9\n+00012f70: 3622 2f3e 0a3c 706f 6c79 676f 6e20 6669 6\"/>.<polygon fi\n+00012f80: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+00012f90: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+00012fa0: 696e 7473 3d22 3234 3130 2e33 382c 2d32 ints=\"2410.38,-2\n+00012fb0: 3939 2e36 3520 3234 3031 2e34 2c2d 3239 99.65 2401.4,-29\n+00012fc0: 342e 3033 2032 3430 342e 3932 2c2d 3330 4.03 2404.92,-30\n+00012fd0: 342e 3032 2032 3431 302e 3338 2c2d 3239 4.02 2410.38,-29\n+00012fe0: 392e 3635 222f 3e0a 3c2f 673e 0a3c 212d 9.65\"/>.</g>.<!-\n+00012ff0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00013000: 6d61 6373 5f67 6d78 616e 6126 2334 353b macs_gmxana-\n+00013010: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00013020: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n+00013030: 6f72 6365 735f 6177 6820 2d2d 3e0a 3c67 orces_awh -->.<g\n+00013040: 2069 643d 2265 6467 6531 3033 2220 636c id=\"edge103\" cl\n+00013050: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00013060: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00013070: 6f6d 6163 735f 676d 7861 6e61 2623 3435 omacs_gmxana-\n+00013080: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00013090: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n+000130a0: 666f 7263 6573 5f61 7768 3c2f 7469 746c forces_awh</titl\n+000130b0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+000130c0: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n+000130d0: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n+000130e0: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n+000130f0: 4d31 3631 322e 3537 2c2d 3131 3533 2e39 M1612.57,-1153.9\n+00013100: 4331 3638 362e 3333 2c2d 3131 3337 2e38 C1686.33,-1137.8\n+00013110: 3220 3138 3730 2e35 362c 2d31 3039 322e 2 1870.56,-1092.\n+00013120: 3037 2031 3837 302e 3536 2c2d 3130 3336 07 1870.56,-1036\n+00013130: 2e33 3620 3138 3730 2e35 362c 2d31 3033 .36 1870.56,-103\n+00013140: 362e 3336 2031 3837 302e 3536 2c2d 3130 6.36 1870.56,-10\n+00013150: 3336 2e33 3620 3138 3730 2e35 362c 2d39 36.36 1870.56,-9\n+00013160: 3731 2e34 3920 3138 3730 2e35 362c 2d38 71.49 1870.56,-8\n+00013170: 3833 2e30 3620 3139 3136 2e37 2c2d 3738 83.06 1916.7,-78\n+00013180: 352e 3036 2031 3933 382e 392c 2d37 3433 5.06 1938.9,-743\n+00013190: 2e30 3222 2f3e 0a3c 706f 6c79 676f 6e20 .02\"/>.<polygon \n+000131a0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+000131b0: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+000131c0: 706f 696e 7473 3d22 3139 3432 2e30 382c points=\"1942.08,\n+000131d0: 2d37 3434 2e34 3920 3139 3433 2e37 342c -744.49 1943.74,\n+000131e0: 2d37 3334 2e30 3220 3139 3335 2e39 322c -734.02 1935.92,\n+000131f0: 2d37 3431 2e31 3720 3139 3432 2e30 382c -741.17 1942.08,\n+00013200: 2d37 3434 2e34 3922 2f3e 0a3c 2f67 3e0a -744.49\"/>.</g>.\n+00013210: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00013220: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+00013230: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013240: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00013250: 7320 2d2d 3e0a 3c67 2069 643d 2265 6467 s -->.<g id=\"edg\n+00013260: 6531 3036 2220 636c 6173 733d 2265 6467 e106\" class=\"edg\n+00013270: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+00013280: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00013290: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+000132a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000132b0: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+000132c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+000133c0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+00013430: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013440: 735f 676d 786c 6962 2623 3435 3b26 6774 s_gmxlib->\n+00013450: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00013460: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n+00013470: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00013480: 6e65 2220 7374 726f 6b65 3d22 2332 6363 ne\" stroke=\"#2cc\n+00013490: 6332 3822 2073 7472 6f6b 652d 6461 7368 c28\" stroke-dash\n+000134a0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+000134b0: 3830 372e 3239 2c2d 3636 392e 3835 4338 807.29,-669.85C8\n+000134c0: 3333 2e38 382c 2d36 3930 2e35 3320 3838 33.88,-690.53 88\n+000134d0: 312e 3437 2c2d 3733 332e 3938 2038 3832 1.47,-733.98 882\n+000134e0: 2e35 362c 2d37 3334 2e34 3420 3934 372e .56,-734.44 947.\n+000134f0: 3038 2c2d 3736 312e 3739 2031 3433 352e 08,-761.79 1435.\n+00013500: 3432 2c2d 3737 372e 3536 2031 3537 372e 42,-777.56 1577.\n+00013510: 382c 2d37 3831 2e37 3422 2f3e 0a3c 706f 8,-781.74\"/>.<po\n+00013520: 6c79 676f 6e20 6669 6c6c 3d22 2332 6363 lygon fill=\"#2cc\n+00013530: 6332 3822 2073 7472 6f6b 653d 2223 3263 c28\" stroke=\"#2c\n+00013540: 6363 3238 2220 706f 696e 7473 3d22 3135 cc28\" points=\"15\n+00013550: 3738 2e31 312c 2d37 3835 2e32 3520 3135 78.11,-785.25 15\n+00013560: 3838 2e32 312c 2d37 3832 2e30 3520 3135 88.21,-782.05 15\n+00013570: 3738 2e33 322c 2d37 3738 2e32 3620 3135 78.32,-778.26 15\n+00013580: 3738 2e31 312c 2d37 3835 2e32 3522 2f3e 78.11,-785.25\"/>\n+00013590: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n+000135a0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+000135b0: 786c 6962 2623 3435 3b26 6774 3b6d 6f64 xlib->mod\n+000135c0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000135d0: 636f 6d6d 616e 646c 696e 6520 2d2d 3e0a commandline -->.\n+000135e0: 3c67 2069 643d 2265 6467 6531 3035 2220 <g id=\"edge105\" \n+000135f0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00013600: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00013610: 6772 6f6d 6163 735f 676d 786c 6962 2623 gromacs_gmxlib&#\n+00013620: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00013630: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+00013640: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 dline......modu\n+000137a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+000137b0: 6d78 6c69 6226 2334 353b 2667 743b 6d6f mxlib->mo\n+000137c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000137d0: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n+000137e0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000137f0: 2073 7472 6f6b 653d 2223 3263 6363 3238 stroke=\"#2ccc28\n+00013800: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+00013810: 6179 3d22 352c 3222 2064 3d22 4d37 3630 ay=\"5,2\" d=\"M760\n+00013820: 2e39 322c 2d36 3533 2e32 3343 3734 342e .92,-653.23C744.\n+00013830: 3837 2c2d 3635 302e 3638 2037 3235 2e30 87,-650.68 725.0\n+00013840: 382c 2d36 3437 2e33 3320 3730 372e 3536 8,-647.33 707.56\n+00013850: 2c2d 3634 342e 3720 3634 372e 3236 2c2d ,-644.7 647.26,-\n+00013860: 3633 352e 3635 2034 3830 2e34 342c 2d36 635.65 480.44,-6\n+00013870: 3439 2e39 3720 3433 352e 3536 2c2d 3630 49.97 435.56,-60\n+00013880: 382e 3720 3332 362e 3233 2c2d 3530 382e 8.7 326.23,-508.\n+00013890: 3136 2033 3635 2e35 362c 2d34 3330 2e34 16 365.56,-430.4\n+000138a0: 3520 3336 352e 3536 2c2d 3238 312e 3932 5 365.56,-281.92\n+000138b0: 2033 3635 2e35 362c 2d32 3831 2e39 3220 365.56,-281.92 \n+000138c0: 3336 352e 3536 2c2d 3238 312e 3932 2033 365.56,-281.92 3\n+000138d0: 3635 2e35 362c 2d32 3137 2e30 3520 3336 65.56,-217.05 36\n+000138e0: 352e 3536 2c2d 3138 302e 3837 2033 3733 5.56,-180.87 373\n+000138f0: 2e39 392c 2d31 3339 2e34 3920 3338 322e .99,-139.49 382.\n+00013900: 3337 2c2d 3131 342e 3933 222f 3e0a 3c70 37,-114.93\"/>.....mod\n+000139f0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00013a00: 676d 786c 6962 2623 3435 3b26 6774 3b6d gmxlib->m\n+00013a10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013a20: 735f 7461 626c 6573 3c2f 7469 746c 653e s_tables\n+00013a30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......module_src_gro\n+00013cf0: 6d61 6373 5f6d 6174 6826 2334 353b 2667 macs_math-&g\n+00013d00: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00013d10: 6d61 6373 5f6d 6473 7061 6e3c 2f74 6974 macs_mdspan...\n+00013e00: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...m\n+00013e70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00013e80: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+00013e90: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00013ea0: 6d61 6373 5f6d 646c 6962 3c2f 7469 746c macs_mdlib</titl\n+00013eb0: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00013ec0: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00013ed0: 6266 6266 2220 643d 224d 3130 3437 2e37 bfbf\" d=\"M1047.7\n+00013ee0: 312c 2d38 3435 2e30 3243 3131 3338 2e34 1,-845.02C1138.4\n+00013ef0: 322c 2d38 3432 2e37 3720 3133 3733 2e30 2,-842.77 1373.0\n+00013f00: 352c 2d38 3333 2e36 3720 3135 3635 2e35 5,-833.67 1565.5\n+00013f10: 362c 2d37 3937 2e33 3120 3135 3730 2e38 6,-797.31 1570.8\n+00013f20: 382c 2d37 3936 2e33 3120 3135 3736 2e35 8,-796.31 1576.5\n+00013f30: 2c2d 3739 342e 3920 3135 3832 2e30 322c ,-794.9 1582.02,\n+00013f40: 2d37 3933 2e33 3922 2f3e 0a3c 706f 6c79 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6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00014040: 735f 6d64 7479 7065 7326 2334 353b 2667 s_mdtypes-&g\n+00014050: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00014060: 6d61 6373 5f66 696c 6569 6f3c 2f74 6974 macs_fileio</tit\n+00014070: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00014080: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00014090: 6363 6332 3822 2073 7472 6f6b 652d 6461 ccc28\" stroke-da\n+000140a0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000140b0: 224d 3130 3433 2e33 392c 2d38 3430 2e34 \"M1043.39,-840.4\n+000140c0: 3343 3131 3936 2e38 372c 2d38 3137 2e31 3C1196.87,-817.1\n+000140d0: 3720 3138 3232 2e32 352c 2d37 3233 2e33 7 1822.25,-723.3\n+000140e0: 3220 3138 3933 2e35 362c 2d36 3731 2e35 2 1893.56,-671.5\n+000140f0: 3720 3139 3238 2e32 312c 2d36 3436 2e34 7 1928.21,-646.4\n+00014100: 3320 3139 3431 2e34 362c 2d36 3232 2e36 3 1941.46,-622.6\n+00014110: 3520 3139 3238 2e35 362c 2d35 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gt;module_src_gr\n+00014200: 6f6d 6163 735f 646f 6d64 6563 202d 2d3e omacs_domdec -->\n+00014210: 0a3c 6720 6964 3d22 6564 6765 3131 3422 .<g id=\"edge114\"\n+00014220: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00014230: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00014240: 5f67 726f 6d61 6373 5f6d 6474 7970 6573 _gromacs_mdtypes\n+00014250: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00014260: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+00014270: 6563 3c2f 7469 746c 653e 0a3c 7061 7468 ec..<\n-00014300: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00014310: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00014320: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00014330: 3135 3831 2e36 362c 2d31 3130 382e 3334 1581.66,-1108.34\n-00014340: 2031 3539 312e 3234 2c2d 3131 3033 2e38 1591.24,-1103.8\n-00014350: 2031 3538 302e 3933 2c2d 3131 3031 2e33 1580.93,-1101.3\n-00014360: 3720 3135 3831 2e36 362c 2d31 3130 382e 7 1581.66,-1108.\n-00014370: 3334 222f 3e0a 3c2f 673e 0a3c 212d 2d20 34\"/>....modu\n-000143f0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00014400: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00014410: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014420: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n-00014430: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00014440: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00014450: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n-00014460: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n-00014470: 3d22 4d39 3939 2e38 352c 2d31 3135 392e =\"M999.85,-1159.\n-00014480: 3936 4338 3531 2e33 322c 2d31 3135 392e 96C851.32,-1159.\n-00014490: 3032 2034 3633 2e37 372c 2d31 3135 322e 02 463.77,-1152.\n-000144a0: 3539 2033 3432 2e35 362c 2d31 3131 312e 59 342.56,-1111.\n-000144b0: 3636 2032 3835 2e30 332c 2d31 3039 322e 66 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635f itle>module_src_\n-00014690: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-000146a0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-000146b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000146c0: 5f6c 6973 7465 645f 666f 7263 6573 3c2f _listed_forces</\n-000146d0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-000146e0: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-000146f0: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-00014700: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-00014710: 2064 3d22 4d31 3131 362e 352c 2d31 3135 d=\"M1116.5,-115\n-00014720: 382e 3638 4331 3336 302e 3336 2c2d 3131 8.68C1360.36,-11\n-00014730: 3532 2e32 3920 3232 3935 2e36 382c 2d31 52.29 2295.68,-1\n-00014740: 3132 332e 3038 2032 3430 322e 3536 2c2d 123.08 2402.56,-\n-00014750: 3130 3438 2e37 3920 3234 3333 2e33 342c 1048.79 2433.34,\n-00014760: 2d31 3032 372e 3339 2032 3434 302e 3536 -1027.39 2440.56\n-00014770: 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3835 2032 3135 65.4,-176.85 215\n-00014860: 382e 3739 2c2d 3136 382e 3537 2032 3135 8.79,-168.57 215\n-00014870: 382e 3739 2c2d 3137 392e 3136 2032 3136 8.79,-179.16 216\n-00014880: 352e 342c 2d31 3736 2e38 3522 2f3e 0a3c 5.4,-176.85\"/>.<\n-00014890: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n-000148a0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n-000148b0: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n-000148c0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000148d0: 6d61 6373 5f6f 7074 696f 6e73 202d 2d3e macs_options -->\n-000148e0: 0a3c 6720 6964 3d22 6564 6765 3134 3022 .<g id=\"edge140\"\n-000148f0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n-00014900: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00014910: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00014920: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00014930: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00014940: 735f 6f70 7469 6f6e 733c 2f74 6974 6c65 s_options</title\n-00014950: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00014960: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00014970: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00014980: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00014990: 3130 3134 2e34 352c 2d31 3135 322e 3131 1014.45,-1152.11\n-000149a0: 4338 3833 2e37 2c2d 3131 3236 2e30 3520 C883.7,-1126.05 \n-000149b0: 3531 312e 3632 2c2d 3130 3333 2e33 3620 511.62,-1033.36 \n-000149c0: 3538 322e 3536 2c2d 3833 332e 3331 2035 582.56,-833.31 5\n-000149d0: 3937 2e31 2c2d 3739 322e 3331 2038 3735 97.1,-792.31 875\n-000149e0: 2e37 392c 2d34 3531 2e33 3820 3935 372e .79,-451.38 957.\n-000149f0: 3536 2c2d 3339 332e 3232 2031 3033 392e 56,-393.22 1039.\n-00014a00: 3931 2c2d 3333 342e 3634 2031 3135 362e 91,-334.64 1156.\n-00014a10: 3735 2c2d 3330 332e 3033 2031 3231 372e 75,-303.03 1217.\n-00014a20: 3039 2c2d 3238 392e 3639 222f 3e0a 3c70 09,-289.69\"/>.<p\n-00014a30: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n-00014a40: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n-00014a50: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n-00014a60: 3231 372e 3934 2c2d 3239 332e 3039 2031 217.94,-293.09 1\n-00014a70: 3232 362e 3938 2c2d 3238 372e 3536 2031 226.98,-287.56 1\n-00014a80: 3231 362e 3436 2c2d 3238 362e 3235 2031 216.46,-286.25 1\n-00014a90: 3231 372e 3934 2c2d 3239 332e 3039 222f 217.94,-293.09\"/\n-00014aa0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00014ab0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00014ac0: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n-00014ad0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00014ae0: 6772 6f6d 6163 735f 6666 7420 2d2d 3e0a gromacs_fft -->.\n-00014af0: 3c67 2069 643d 2265 6467 6531 3239 2220 <g id=\"edge129\" \n-00014b00: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-00014b10: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-00014b20: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n-00014b30: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n-00014b40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00014b50: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 _fft...\n-00014d20: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n-00014da0: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n-00014db0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00014dc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00014dd0: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..\n-00014ff0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ...<\n-00015040: 6720 6964 3d22 6564 6765 3133 3022 2063 g id=\"edge130\" c\n-00015050: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00015070: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n-00015080: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n-00015090: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000150a0: 696d 643c 2f74 6974 6c65 3e0a 3c70 6174 imd......module\n-000152d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n-000152e0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n-000152f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00015300: 6f6d 6163 735f 676d 7861 6e61 3c2f 7469 omacs_gmxana</ti\n-00015310: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00015320: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00015330: 6266 6266 6266 2220 643d 224d 3130 3138 bfbfbf\" d=\"M1018\n-00015340: 2e33 382c 2d31 3135 312e 3243 3939 342e .38,-1151.2C994.\n-00015350: 3132 2c2d 3131 3434 2e30 3520 3936 342e 12,-1144.05 964.\n-00015360: 3033 2c2d 3131 3331 2e37 3820 3934 332e 03,-1131.78 943.\n-00015370: 3536 2c2d 3131 3131 2e36 3620 3931 302e 56,-1111.66 910.\n-00015380: 3538 2c2d 3130 3739 2e32 3420 3839 342e 58,-1079.24 894.\n-00015390: 3039 2c2d 3130 3235 2e39 3220 3838 372e 09,-1025.92 887.\n-000153a0: 3032 2c2d 3939 352e 3838 222f 3e0a 3c70 02,-995.88\"/>.<p\n-000153b0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-000153c0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-000153d0: 6662 6662 6622 2070 6f69 6e74 733d 2238 fbfbf\" points=\"8\n-000153e0: 3930 2e34 2c2d 3939 342e 3936 2038 3834 90.4,-994.96 884\n-000153f0: 2e38 332c 2d39 3835 2e39 3420 3838 332e .83,-985.94 883.\n-00015400: 3537 2c2d 3939 362e 3436 2038 3930 2e34 57,-996.46 890.4\n-00015410: 2c2d 3939 342e 3936 222f 3e0a 3c2f 673e ,-994.96\"/>.</g>\n-00015420: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-00015430: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00015440: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00015450: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00015460: 735f 676d 786c 6962 202d 2d3e 0a3c 6720 s_gmxlib -->.<g \n-00015470: 6964 3d22 6564 6765 3133 3722 2063 6c61 id=\"edge137\" cla\n-00015480: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n-00015490: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n-000154a0: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-000154b0: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-000154c0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000154d0: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib...<\n-000155f0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-00015640: 0a3c 6720 6964 3d22 6564 6765 3133 3422 ..<\n-00015660: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00015670: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-00015680: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n-00015690: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000156a0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes.\n-00015780: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....\n-00015ab0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00015ac0: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n-00015ad0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00015ae0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00015af0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io...\n-00015cc0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gro\n-00015d40: 6d61 6373 5f67 6d78 7072 6570 726f 6365 macs_gmxpreproce\n-00015d50: 7373 2623 3435 3b26 6774 3b6d 6f64 756c ss->modul\n-00015d60: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-00015d70: 6d64 6563 3c2f 7469 746c 653e 0a3c 7061 mdec..\n-00015e60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mo\n-00015f50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00015f60: 5f67 6d78 7072 6570 726f 6365 7373 2623 _gmxpreprocess&#\n-00015f70: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00015f80: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-00015f90: 646c 696e 653c 2f74 6974 6c65 3e0a 3c70 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635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-00016430: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n-00016440: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00016450: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00016460: 6f72 6365 735f 6177 683c 2f74 6974 6c65 orces_awh</title\n-00016470: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00016480: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00016490: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-000164a0: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-000164b0: 3130 3138 2e39 332c 2d31 3135 312e 3143 1018.93,-1151.1C\n-000164c0: 3938 392e 382c 2d31 3134 332e 3420 3934 989.8,-1143.4 94\n-000164d0: 392e 3938 2c2d 3131 3330 2e35 3320 3931 9.98,-1130.53 91\n-000164e0: 382e 3536 2c2d 3131 3131 2e36 3620 3830 8.56,-1111.66 80\n-000164f0: 302e 3939 2c2d 3130 3431 2e30 3420 3639 0.99,-1041.04 69\n-00016500: 302e 3635 2c2d 3931 352e 3634 2036 3530 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726f 6365 7373 2623 3435 mxpreprocess-\n-000167c0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000167d0: 7465 7374 7574 696c 733c 2f74 6974 6c65 testutils</title\n-000167e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000167f0: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n-00016800: 2064 3d22 4d31 3131 362e 3832 2c2d 3131 d=\"M1116.82,-11\n-00016810: 3539 2e31 3443 3133 3935 2e37 392c 2d31 59.14C1395.79,-1\n-00016820: 3135 342e 3537 2032 3538 372e 3633 2c2d 154.57 2587.63,-\n-00016830: 3131 3334 2e32 3520 3237 3532 2e35 362c 1134.25 2752.56,\n-00016840: 2d31 3131 312e 3636 2032 3735 382e 3732 -1111.66 2758.72\n-00016850: 2c2d 3131 3130 2e38 3220 3237 3635 2e32 ,-1110.82 2765.2\n-00016860: 332c 2d31 3130 392e 3531 2032 3737 312e 3,-1109.51 2771.\n-00016870: 3632 2c2d 3131 3038 2e30 3622 2f3e 0a3c 62,-1108.06\"/>.<\n-00016880: 706f 6c79 676f 6e20 6669 6c6c 3d22 7265 polygon fill=\"re\n-00016890: 6422 2073 7472 6f6b 653d 2272 6564 2220 d\" 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6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00016990: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-000169a0: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity..\n-00016be0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n-00016c50: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00016c60: 735f 6d64 6c69 6226 2334 353b 2667 743b s_mdlib->\n-00016c70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00016c80: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random</title\n-00016c90: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00016ca0: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-00016cb0: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-00016cc0: 7261 793d 2235 2c32 2220 643d 224d 3135 ray=\"5,2\" d=\"M15\n-00016cd0: 3036 2e36 2c2d 3231 352e 3335 4331 3336 06.6,-215.35C136\n-00016ce0: 362e 3839 2c2d 3230 362e 3920 3734 342e 6.89,-206.9 744.\n-00016cf0: 3233 2c2d 3136 392e 3232 2035 3732 2e35 23,-169.22 572.5\n-00016d00: 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6475 6c65 \">.<title>module\n-00016df0: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n-00016e00: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n-00016e10: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00016e20: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00016e30: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..<\n-00016f60: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00016fd0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00016fe0: 6d64 6c69 6226 2334 353b 2667 743b 6d6f mdlib->mo\n-00016ff0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00017000: 5f74 6162 6c65 733c 2f74 6974 6c65 3e0a _tables.\n-00017010: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00017100: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00017110: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n-00017120: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-00017130: 6772 6f6d 6163 735f 6861 7264 7761 7265 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2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000144f0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+00014500: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..\n+00014570: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 \n+000145e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n+00014650: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00014660: 6373 5f6d 6474 7970 6573 2623 3435 3b26 cs_mdtypes-&\n+00014670: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00014680: 6f6d 6163 735f 6577 616c 643c 2f74 6974 omacs_ewald</tit\n+00014690: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+000146a0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+000146b0: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+000146c0: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+000146d0: 224d 3937 312e 3538 2c2d 3834 342e 3735 \"M971.58,-844.75\n+000146e0: 4338 3438 2e31 362c 2d38 3431 2e31 2034 C848.16,-841.1 4\n+000146f0: 3634 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726f l=\"#282fcc\" stro\n+000147e0: 6b65 3d22 2332 3832 6663 6322 2070 6f69 ke=\"#282fcc\" poi\n+000147f0: 6e74 733d 2233 3739 2e30 382c 2d31 3134 nts=\"379.08,-114\n+00014800: 2e39 3120 3338 322e 3037 2c2d 3130 342e .91 382.07,-104.\n+00014810: 3734 2033 3733 2e33 392c 2d31 3130 2e38 74 373.39,-110.8\n+00014820: 3220 3337 392e 3038 2c2d 3131 342e 3931 2 379.08,-114.91\n+00014830: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+00014840: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00014850: 5f6d 6474 7970 6573 2623 3435 3b26 6774 _mdtypes->\n+00014860: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00014870: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n+00014880: 6573 5f61 7768 202d 2d3e 0a3c 6720 6964 es_awh -->.<g id\n+00014890: 3d22 6564 6765 3131 3522 2063 6c61 7373 =\"edge115\" class\n+000148a0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000148b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000148c0: 6373 5f6d 6474 7970 6573 2623 3435 3b26 cs_mdtypes-&\n+000148d0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000148e0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+000148f0: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+00014900: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e .\n+000149e0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ....\n+00014aa0: 3c67 2069 643d 2265 6467 6531 3333 2220 .module_src_\n+00014ad0: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00014ae0: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00014af0: 6475 6c65 5f73 7263 5f74 6573 7475 7469 dule_src_testuti\n+00014b00: 6c73 3c2f 7469 746c 653e 0a3c 7061 7468 ls......modul\n+00014c90: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00014ca0: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00014cb0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00014cc0: 726f 6d61 6373 5f6c 6973 7465 645f 666f romacs_listed_fo\n+00014cd0: 7263 6573 3c2f 7469 746c 653e 0a3c 7061 rces....<\n+00014de0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00014df0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00014e00: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00014e10: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00014e20: 6f70 7469 6f6e 7320 2d2d 3e0a 3c67 2069 options -->..module_src_grom\n+00014e60: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00014e70: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+00014e80: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+00014e90: 696f 6e73 3c2f 7469 746c 653e 0a3c 7061 ions....\n+000150c0: 0a3c 6720 6964 3d22 6564 6765 3132 3122 ..<\n+000150e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+000150f0: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n+00015100: 726f 6365 7373 2623 3435 3b26 6774 3b6d rocess->m\n+00015110: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00015120: 735f 6666 743c 2f74 6974 6c65 3e0a 3c70 s_fft......module\n+000153d0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+000153e0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+000153f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00015400: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974 omacs_mdrun</tit\n+00015410: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00015420: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+00015430: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+00015440: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+00015450: 224d 3135 3238 2e35 362c 2d31 3231 302e \"M1528.56,-1210.\n+00015460: 3332 4331 3532 382e 3536 2c2d 3131 3837 32C1528.56,-1187\n+00015470: 2e39 3220 3135 3238 2e35 362c 2d31 3133 .92 1528.56,-113\n+00015480: 392e 3833 2031 3532 382e 3536 2c2d 3130 9.83 1528.56,-10\n+00015490: 3939 2e32 3320 3135 3238 2e35 362c 2d31 99.23 1528.56,-1\n+000154a0: 3039 392e 3233 2031 3532 382e 3536 2c2d 099.23 1528.56,-\n+000154b0: 3130 3939 2e32 3320 3135 3238 2e35 362c 1099.23 1528.56,\n+000154c0: 2d39 3731 2e34 3920 3135 3238 2e35 362c -971.49 1528.56,\n+000154d0: 2d38 3737 2e36 2031 3432 392e 3536 2c2d -877.6 1429.56,-\n+000154e0: 3837 382e 3736 2031 3432 392e 3536 2c2d 878.76 1429.56,-\n+000154f0: 3738 342e 3838 2031 3432 392e 3536 2c2d 784.88 1429.56,-\n+00015500: 3738 342e 3838 2031 3432 392e 3536 2c2d 784.88 1429.56,-\n+00015510: 3738 342e 3838 2031 3432 392e 3536 2c2d 784.88 1429.56,-\n+00015520: 3732 302e 3031 2031 3432 392e 3536 2c2d 720.01 1429.56,-\n+00015530: 3631 302e 3835 2031 3434 382e 3534 2c2d 610.85 1448.54,-\n+00015540: 3438 312e 3239 2031 3435 362e 382c 2d34 481.29 1456.8,-4\n+00015550: 3330 2e30 3822 2f3e 0a3c 706f 6c79 676f 30.08\"/>.<polygo\n+00015560: 6e20 6669 6c6c 3d22 2332 3832 6663 6322 n fill=\"#282fcc\"\n+00015570: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+00015580: 2220 706f 696e 7473 3d22 3134 3630 2e32 \" points=\"1460.2\n+00015590: 372c 2d34 3330 2e35 3420 3134 3538 2e34 7,-430.54 1458.4\n+000155a0: 332c 2d34 3230 2e31 3120 3134 3533 2e33 3,-420.11 1453.3\n+000155b0: 362c 2d34 3239 2e34 3120 3134 3630 2e32 6,-429.41 1460.2\n+000155c0: 372c 2d34 3330 2e35 3422 2f3e 0a3c 2f67 7,-430.54\"/>.</g\n+000155d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000155e0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+000155f0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00015600: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015610: 6373 5f69 6d64 202d 2d3e 0a3c 6720 6964 cs_imd -->.<g id\n+00015620: 3d22 6564 6765 3132 3222 2063 6c61 7373 =\"edge122\" class\n+00015630: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+00015640: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015650: 6373 5f67 6d78 7072 6570 726f 6365 7373 cs_gmxpreprocess\n+00015660: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00015670: 7372 635f 6772 6f6d 6163 735f 696d 643c src_gromacs_imd<\n+00015680: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00015690: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000156a0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+000156b0: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+000156c0: 2220 643d 224d 3135 3836 2e30 362c 2d31 \" d=\"M1586.06,-1\n+000156d0: 3232 312e 3139 4331 3732 302e 3039 2c2d 221.19C1720.09,-\n+000156e0: 3132 3135 2e37 3420 3230 3632 2e35 322c 1215.74 2062.52,\n+000156f0: 2d31 3139 342e 3138 2032 3333 342e 3536 -1194.18 2334.56\n+00015700: 2c2d 3131 3131 2e36 3620 3234 3038 2e38 ,-1111.66 2408.8\n+00015710: 362c 2d31 3038 392e 3132 2032 3432 392e 6,-1089.12 2429.\n+00015720: 3834 2c2d 3130 3836 2e37 3720 3234 3937 84,-1086.77 2497\n+00015730: 2e35 362c 2d31 3034 382e 3739 2032 3533 .56,-1048.79 253\n+00015740: 372e 3631 2c2d 3130 3236 2e33 3320 3235 7.61,-1026.33 25\n+00015750: 3531 2e38 362c 2d31 3032 322e 3535 2032 51.86,-1022.55 2\n+00015760: 3537 392e 3536 2c2d 3938 352e 3932 2032 579.56,-985.92 2\n+00015770: 3632 382e 3738 2c2d 3932 302e 3835 2032 628.78,-920.85 2\n+00015780: 3634 302e 3536 2c2d 3733 352e 3620 3236 640.56,-735.6 26\n+00015790: 3430 2e35 362c 2d37 3232 2e30 3120 3236 40.56,-722.01 26\n+000157a0: 3430 2e35 362c 2d37 3232 2e30 3120 3236 40.56,-722.01 26\n+000157b0: 3430 2e35 362c 2d37 3232 2e30 3120 3236 40.56,-722.01 26\n+000157c0: 3430 2e35 362c 2d36 3537 2e31 3420 3236 40.56,-657.14 26\n+000157d0: 3430 2e35 362c 2d35 3732 2e33 3120 3236 40.56,-572.31 26\n+000157e0: 3030 2e35 362c 2d35 3535 2e33 3520 3236 00.56,-555.35 26\n+000157f0: 3030 2e35 362c 2d34 3730 2e35 3320 3236 00.56,-470.53 26\n+00015800: 3030 2e35 362c 2d34 3730 2e35 3320 3236 00.56,-470.53 26\n+00015810: 3030 2e35 362c 2d34 3730 2e35 3320 3236 00.56,-470.53 26\n+00015820: 3030 2e35 362c 2d32 3137 2e30 3520 3236 00.56,-217.05 26\n+00015830: 3030 2e35 362c 2d31 3137 2e31 3220 3138 00.56,-117.12 18\n+00015840: 3130 2e37 392c 2d39 372e 3135 2031 3632 10.79,-97.15 162\n+00015850: 382e 372c 2d39 332e 3838 222f 3e0a 3c70 8.7,-93.88\"/>.<p\n+00015860: 6f6c 7967 6f6e 2066 696c 6c3d 2223 3238 olygon fill=\"#28\n+00015870: 3266 6363 2220 7374 726f 6b65 3d22 2332 2fcc\" stroke=\"#2\n+00015880: 3832 6663 6322 2070 6f69 6e74 733d 2231 82fcc\" points=\"1\n+00015890: 3632 382e 3631 2c2d 3930 2e33 3720 3136 628.61,-90.37 16\n+000158a0: 3138 2e35 352c 2d39 332e 3720 3136 3238 18.55,-93.7 1628\n+000158b0: 2e34 392c 2d39 372e 3337 2031 3632 382e .49,-97.37 1628.\n+000158c0: 3631 2c2d 3930 2e33 3722 2f3e 0a3c 2f67 61,-90.37\"/>.</g\n+000158d0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+000158e0: 635f 6772 6f6d 6163 735f 676d 7870 7265 c_gromacs_gmxpre\n+000158f0: 7072 6f63 6573 7326 2334 353b 2667 743b process->\n+00015900: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00015910: 6373 5f67 6d78 616e 6120 2d2d 3e0a 3c67 cs_gmxana -->.<g\n+00015920: 2069 643d 2265 6467 6531 3238 2220 636c id=\"edge128\" cl\n+00015930: 6173 733d 2265 6467 6522 3e0a 3c74 6974 ass=\"edge\">.<tit\n+00015940: 6c65 3e6d 6f64 756c 655f 7372 635f 6772 le>module_src_gr\n+00015950: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00015960: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00015970: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00015980: 6d78 616e 613c 2f74 6974 6c65 3e0a 3c70 mxana......module_src_gr\n+00015af0: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n+00015b00: 6573 7326 2334 353b 2667 743b 6d6f 6475 ess->modu\n+00015b10: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00015b20: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......modul\n+00015d10: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00015d20: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00015d30: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00015d40: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes</\n+00015d50: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00015d60: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00015d70: 2223 6266 6266 6266 2220 643d 224d 3134 \"#bfbfbf\" d=\"M14\n+00015d80: 3639 2e39 332c 2d31 3232 332e 3036 4331 69.93,-1223.06C1\n+00015d90: 3335 392e 3938 2c2d 3132 3139 2e36 3820 359.98,-1219.68 \n+00015da0: 3131 3234 2e34 312c 2d31 3139 342e 3820 1124.41,-1194.8 \n+00015db0: 3130 3138 2e35 362c 2d31 3034 382e 3739 1018.56,-1048.79\n+00015dc0: 2039 3738 2e33 342c 2d39 3933 2e33 3120 978.34,-993.31 \n+00015dd0: 3938 372e 362c 2d39 3634 2e31 3220 3939 987.6,-964.12 99\n+00015de0: 362e 3536 2c2d 3839 362e 3138 2039 3937 6.56,-896.18 997\n+00015df0: 2e37 2c2d 3838 372e 3534 2039 3939 2e39 .7,-887.54 999.9\n+00015e00: 342c 2d38 3738 2e32 3520 3130 3032 2e32 4,-878.25 1002.2\n+00015e10: 342c 2d38 3730 2e31 3422 2f3e 0a3c 706f 4,-870.14\"/>.<po\n+00015e20: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+00015e30: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+00015e40: 6266 6266 2220 706f 696e 7473 3d22 3130 bfbf\" points=\"10\n+00015e50: 3035 2e36 372c 2d38 3730 2e38 3920 3130 05.67,-870.89 10\n+00015e60: 3035 2e32 312c 2d38 3630 2e33 3120 3939 05.21,-860.31 99\n+00015e70: 382e 3937 2c2d 3836 382e 3837 2031 3030 8.97,-868.87 100\n+00015e80: 352e 3637 2c2d 3837 302e 3839 222f 3e0a 5.67,-870.89\"/>.\n+00015e90: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+00015ea0: 5f73 7263 5f67 726f 6d61 6373 5f67 6d78 _src_gromacs_gmx\n+00015eb0: 7072 6570 726f 6365 7373 2623 3435 3b26 preprocess-&\n+00015ec0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00015ed0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+00015ee0: 3c67 2069 643d 2265 6467 6531 3233 2220 <g id=\"edge123\" \n+00015ef0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+00015f00: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+00015f10: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00015f20: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00015f30: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00015f40: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00015f50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00015f60: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00015f70: 2220 643d 224d 3135 3634 2e33 332c 2d31 \" d=\"M1564.33,-1\n+00015f80: 3231 332e 3135 4331 3538 352e 3138 2c2d 213.15C1585.18,-\n+00015f90: 3132 3035 2e37 3220 3136 3130 2e34 372c 1205.72 1610.47,\n+00015fa0: 2d31 3139 332e 3438 2031 3632 362e 3536 -1193.48 1626.56\n+00015fb0: 2c2d 3131 3734 2e35 3320 3136 3439 2e32 ,-1174.53 1649.2\n+00015fc0: 312c 2d31 3134 372e 3836 2031 3634 392e 1,-1147.86 1649.\n+00015fd0: 3536 2c2d 3131 3334 2e32 3220 3136 3439 56,-1134.22 1649\n+00015fe0: 2e35 362c 2d31 3039 392e 3233 2031 3634 .56,-1099.23 164\n+00015ff0: 392e 3536 2c2d 3130 3939 2e32 3320 3136 9.56,-1099.23 16\n+00016000: 3439 2e35 362c 2d31 3039 392e 3233 2031 49.56,-1099.23 1\n+00016010: 3634 392e 3536 2c2d 3930 382e 3632 2031 649.56,-908.62 1\n+00016020: 3634 392e 3536 2c2d 3837 312e 3835 2031 649.56,-871.85 1\n+00016030: 3633 352e 3739 2c2d 3833 302e 3935 2031 635.79,-830.95 1\n+00016040: 3632 362e 3034 2c2d 3830 362e 3539 222f 626.04,-806.59\"/\n+00016050: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.....modu\n+00016140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00016150: 6d78 7072 6570 726f 6365 7373 2623 3435 mxpreprocess-\n+00016160: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00016170: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+00016180: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00016190: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+000161a0: 2223 6266 6266 6266 2220 643d 224d 3135 \"#bfbfbf\" d=\"M15\n+000161b0: 3836 2e36 362c 2d31 3232 312e 3732 4331 86.66,-1221.72C1\n+000161c0: 3634 322e 3236 2c2d 3132 3138 2e34 3120 642.26,-1218.41 \n+000161d0: 3137 3237 2e31 312c 2d31 3230 372e 3733 1727.11,-1207.73\n+000161e0: 2031 3739 322e 3536 2c2d 3131 3734 2e35 1792.56,-1174.5\n+000161f0: 3320 3138 3933 2e34 372c 2d31 3132 332e 3 1893.47,-1123.\n+00016200: 3335 2031 3932 312e 3434 2c2d 3130 3930 35 1921.44,-1090\n+00016210: 2e39 3420 3139 3633 2e35 362c 2d39 3835 .94 1963.56,-985\n+00016220: 2e39 3220 3230 3330 2e37 322c 2d38 3138 .92 2030.72,-818\n+00016230: 2e34 3520 3231 3032 2e38 392c 2d37 3331 .45 2102.89,-731\n+00016240: 2e37 3920 3230 3032 2e35 362c 2d35 3831 .79 2002.56,-581\n+00016250: 2e38 3320 3139 3938 2e32 382c 2d35 3735 .83 1998.28,-575\n+00016260: 2e34 3320 3139 3630 2e32 322c 2d35 3537 .43 1960.22,-557\n+00016270: 2e39 3220 3139 3332 2e35 362c 2d35 3435 .92 1932.56,-545\n+00016280: 2e38 3122 2f3e 0a3c 706f 6c79 676f 6e20 .81\"/>.<polygon \n+00016290: 6669 6c6c 3d22 2362 6662 6662 6622 2073 fill=\"#bfbfbf\" s\n+000162a0: 7472 6f6b 653d 2223 6266 6266 6266 2220 troke=\"#bfbfbf\" \n+000162b0: 706f 696e 7473 3d22 3139 3333 2e38 362c points=\"1933.86,\n+000162c0: 2d35 3432 2e35 3520 3139 3233 2e32 392c -542.55 1923.29,\n+000162d0: 2d35 3431 2e37 3820 3139 3331 2e30 362c -541.78 1931.06,\n+000162e0: 2d35 3438 2e39 3720 3139 3333 2e38 362c -548.97 1933.86,\n+000162f0: 2d35 3432 2e35 3522 2f3e 0a3c 2f67 3e0a -542.55\"/>.</g>.\n+00016300: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00016310: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00016320: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00016330: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016340: 5f64 6f6d 6465 6320 2d2d 3e0a 3c67 2069 _domdec -->.<g i\n+00016350: 643d 2265 6467 6531 3331 2220 636c 6173 d=\"edge131\" clas\n+00016360: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+00016370: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+00016380: 6163 735f 676d 7870 7265 7072 6f63 6573 acs_gmxpreproces\n+00016390: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+000163a0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+000163b0: 6465 633c 2f74 6974 6c65 3e0a 3c70 6174 dec...\n+000165a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...modul\n+00016620: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+00016630: 7870 7265 7072 6f63 6573 7326 2334 353b xpreprocess-\n+00016640: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00016650: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n+00016660: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne...\n+000167e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n+00016830: 3c67 2069 643d 2265 6467 6531 3230 2220 .module_src_\n+00016860: 6772 6f6d 6163 735f 676d 7870 7265 7072 gromacs_gmxprepr\n+00016870: 6f63 6573 7326 2334 353b 2667 743b 6d6f ocess->mo\n+00016880: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00016890: 5f65 7761 6c64 3c2f 7469 746c 653e 0a3c _ewald.<\n+000168a0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+000168b0: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n+000168c0: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n+000168d0: 6179 3d22 352c 3222 2064 3d22 4d31 3436 ay=\"5,2\" d=\"M146\n+000168e0: 392e 3738 2c2d 3132 3233 2e33 3643 3132 9.78,-1223.36C12\n+000168f0: 3430 2e39 362c 2d31 3232 342e 3533 2034 40.96,-1224.53 4\n+00016900: 3137 2e32 332c 2d31 3232 352e 3135 2033 17.23,-1225.15 3\n+00016910: 3132 2e35 362c 2d31 3137 342e 3533 2032 12.56,-1174.53 2\n+00016920: 3535 2e37 342c 2d31 3134 372e 3035 2032 55.74,-1147.05 2\n+00016930: 3536 2e34 362c 2d31 3131 312e 3132 2032 56.46,-1111.12 2\n+00016940: 3436 2e35 362c 2d31 3034 382e 3739 2031 46.56,-1048.79 1\n+00016950: 3937 2e34 362c 2d37 3339 2e37 3720 3234 97.46,-739.77 24\n+00016960: 392e 3536 2c2d 3635 372e 3638 2032 3439 9.56,-657.68 249\n+00016970: 2e35 362c 2d33 3434 2e37 3920 3234 392e .56,-344.79 249.\n+00016980: 3536 2c2d 3334 342e 3739 2032 3439 2e35 56,-344.79 249.5\n+00016990: 362c 2d33 3434 2e37 3920 3234 392e 3536 6,-344.79 249.56\n+000169a0: 2c2d 3231 372e 3035 2032 3439 2e35 362c ,-217.05 249.56,\n+000169b0: 2d31 3831 2e37 3820 3235 302e 3432 2c2d -181.78 250.42,-\n+000169c0: 3136 372e 3435 2032 3734 2e35 362c 2d31 167.45 274.56,-1\n+000169d0: 3431 2e37 3420 3239 362e 3438 2c2d 3131 41.74 296.48,-11\n+000169e0: 382e 3339 2033 3331 2e32 312c 2d31 3036 8.39 331.21,-106\n+000169f0: 2e30 3220 3335 372e 3637 2c2d 3939 2e36 .02 357.67,-99.6\n+00016a00: 3522 2f3e 0a3c 706f 6c79 676f 6e20 6669 5\"/>.....module_\n+00016af0: 7372 635f 6772 6f6d 6163 735f 676d 7870 src_gromacs_gmxp\n+00016b00: 7265 7072 6f63 6573 7326 2334 353b 2667 reprocess-&g\n+00016b10: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00016b20: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+00016b30: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y.....<\n+00016ce0: 6720 6964 3d22 6564 6765 3132 3722 2063 g id=\"edge127\" c\n+00016cf0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00016d10: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+00016d20: 6365 7373 2623 3435 3b26 6774 3b6d 6f64 cess->mod\n+00016d30: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00016d40: 7261 6e64 6f6d 3c2f 7469 746c 653e 0a3c random.<\n+00016d50: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00016d60: 2073 7472 6f6b 653d 2262 6c61 636b 2220 stroke=\"black\" \n+00016d70: 7374 726f 6b65 2d64 6173 6861 7272 6179 stroke-dasharray\n+00016d80: 3d22 352c 3222 2064 3d22 4d31 3537 392e =\"5,2\" d=\"M1579.\n+00016d90: 3031 2c2d 3132 3137 2e30 3443 3137 3437 01,-1217.04C1747\n+00016da0: 2e30 342c 2d31 3139 362e 3136 2032 3238 .04,-1196.16 228\n+00016db0: 322e 3437 2c2d 3131 3139 2e39 3120 3233 2.47,-1119.91 23\n+00016dc0: 3738 2e35 362c 2d39 3835 2e39 3220 3234 78.56,-985.92 24\n+00016dd0: 3335 2e31 392c 2d39 3036 2e39 3620 3232 35.19,-906.96 22\n+00016de0: 3735 2e33 362c 2d36 3535 2e31 3120 3232 75.36,-655.11 22\n+00016df0: 3131 2e35 362c 2d35 3831 2e38 3320 3231 11.56,-581.83 21\n+00016e00: 3934 2e35 312c 2d35 3632 2e32 3520 3231 94.51,-562.25 21\n+00016e10: 3832 2e37 372c 2d35 3635 2e32 3720 3231 82.77,-565.27 21\n+00016e20: 3635 2e35 362c 2d35 3435 2e38 3320 3231 65.56,-545.83 21\n+00016e30: 3133 2e30 362c 2d34 3836 2e35 3320 3231 13.06,-486.53 21\n+00016e40: 3234 2e33 362c 2d34 3533 2e39 3820 3230 24.36,-453.98 20\n+00016e50: 3733 2e35 362c 2d33 3933 2e32 3220 3230 73.56,-393.22 20\n+00016e60: 3538 2e30 312c 2d33 3734 2e36 3220 3230 58.01,-374.62 20\n+00016e70: 3439 2c2d 3337 352e 3035 2032 3033 322e 49,-375.05 2032.\n+00016e80: 3536 2c2d 3335 372e 3232 2032 3033 322e 56,-357.22 2032.\n+00016e90: 3237 2c2d 3335 362e 3920 3230 3038 2e30 27,-356.9 2008.0\n+00016ea0: 372c 2d33 3234 2e33 3320 3139 3931 2e35 7,-324.33 1991.5\n+00016eb0: 382c 2d33 3032 2e31 3422 2f3e 0a3c 706f 8,-302.14\"/>.....m\n+00016fb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00016fc0: 735f 676d 7870 7265 7072 6f63 6573 7326 s_gmxpreprocess&\n+00016fd0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00016fe0: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+00016ff0: 6564 5f66 6f72 6365 735f 6177 683c 2f74 ed_forces_awh</t\n+00017000: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00017010: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00017020: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+00017030: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+00017040: 643d 224d 3135 3739 2e30 342c 2d31 3231 d=\"M1579.04,-121\n+00017050: 3743 3136 3931 2e30 362c 2d31 3230 302e 7C1691.06,-1200.\n+00017060: 3635 2031 3935 302e 3536 2c2d 3131 3434 65 1950.56,-1144\n+00017070: 2e33 3420 3139 3530 2e35 362c 2d39 3733 .34 1950.56,-973\n+00017080: 2e34 3920 3139 3530 2e35 362c 2d39 3733 .49 1950.56,-973\n+00017090: 2e34 3920 3139 3530 2e35 362c 2d39 3733 .49 1950.56,-973\n+000170a0: 2e34 3920 3139 3530 2e35 362c 2d38 3435 .49 1950.56,-845\n+000170b0: 2e37 3520 3139 3530 2e35 362c 2d38 3130 .75 1950.56,-810\n+000170c0: 2e35 3420 3139 3530 2e35 362c 2d37 3639 .54 1950.56,-769\n+000170d0: 2e36 3920 3139 3530 2e35 362c 2d37 3434 .69 1950.56,-744\n+000170e0: 2e38 3622 2f3e 0a3c 706f 6c79 676f 6e20 .86\"/>.<polygon \n+000170f0: 6669 6c6c 3d22 2332 3832 6663 6322 2073 fill=\"#282fcc\" s\n+00017100: 7472 6f6b 653d 2223 3238 3266 6363 2220 troke=\"#282fcc\" \n+00017110: 706f 696e 7473 3d22 3139 3534 2e30 362c points=\"1954.06,\n+00017120: 2d37 3434 2e36 3520 3139 3530 2e35 362c -744.65 1950.56,\n+00017130: 2d37 3334 2e36 3520 3139 3437 2e30 362c -734.65 1947.06,\n+00017140: 2d37 3434 2e36 3520 3139 3534 2e30 362c -744.65 1954.06,\n+00017150: 2d37 3434 2e36 3522 2f3e 0a3c 2f67 3e0a -744.65\"/>.</g>.\n+00017160: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n+00017170: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00017180: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017190: 5f67 726f 6d61 6373 5f6c 6973 7465 645f _gromacs_listed_\n+000171a0: 666f 7263 6573 202d 2d3e 0a3c 6720 6964 forces -->.<g id\n+000171b0: 3d22 6564 6765 3133 3722 2063 6c61 7373 =\"edge137\" class\n+000171c0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+000171d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000171e0: 6373 5f6d 646c 6962 2623 3435 3b26 6774 cs_mdlib->\n+000171f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00017200: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00017210: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s..<\n+000172d0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+000172e0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+000172f0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00017300: 3134 3438 2e38 372c 2d31 3038 302e 3734 1448.87,-1080.74\n+00017310: 2031 3434 312e 3031 2c2d 3130 3837 2e38 1441.01,-1087.8\n+00017320: 3520 3134 3531 2e35 392c 2d31 3038 372e 5 1451.59,-1087.\n+00017330: 3139 2031 3434 382e 3837 2c2d 3130 3830 19 1448.87,-1080\n+00017340: 2e37 3422 2f3e 0a3c 2f67 3e0a 3c21 2d2d .74\"/>...<\n+00017390: 6720 6964 3d22 6564 6765 3134 3322 2063 g id=\"edge143\" c\n+000173a0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+000173c0: 726f 6d61 6373 5f6d 646c 6962 2623 3435 romacs_mdlib-\n+000173d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000173e0: 6772 6f6d 6163 735f 6e62 6e78 6d3c 2f74 gromacs_nbnxm...\n+00017500: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_grom\n+00017800: 6163 735f 6d64 6c69 6226 2334 353b 2667 acs_mdlib-&g\n+00017810: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00017820: 6d61 6373 5f67 6d78 6c69 623c 2f74 6974 macs_gmxlib......module_src_gr\n+000179b0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+000179c0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000179d0: 726f 6d61 6373 5f63 6f6d 7061 743c 2f74 romacs_compat..\n+00017ae0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n+00017bd0: 6f6d 6163 735f 6d64 6c69 6226 2334 353b omacs_mdlib-\n+00017be0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00017bf0: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes......\n+00017d70: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+00017d80: 635f 6772 6f6d 6163 735f 6d64 6c69 6226 c_gromacs_mdlib&\n+00017d90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00017da0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+00017db0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o.....\n+00017f40: 3c67 2069 643d 2265 6467 6531 3335 2220 .module_src_\n+00017f70: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00017f80: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00017f90: 5f67 726f 6d61 6373 5f64 6f6d 6465 633c _gromacs_domdec<\n+00017fa0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>...<\n+000181a0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...module_src_gro\n+00018220: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00018230: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018240: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+00018250: 653c 2f74 6974 6c65 3e0a 3c70 6174 6820 e......module\n+00018410: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00018420: 6962 2623 3435 3b26 6774 3b6d 6f64 756c ib->modul\n+00018430: 655f 7372 635f 6772 6f6d 6163 735f 7472 e_src_gromacs_tr\n+00018440: 616a 6563 746f 7279 3c2f 7469 746c 653e ajectory\n+00018450: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+00018600: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00018610: 5f6d 646c 6962 2623 3435 3b26 6774 3b6d _mdlib->m\n+00018620: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00018630: 735f 6770 755f 7574 696c 733c 2f74 6974 s_gpu_utils</tit\n+00018640: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00018650: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+00018660: 6422 2064 3d22 4d31 3630 302e 3539 2c2d d\" d=\"M1600.59,-\n+00018670: 3739 352e 3131 4331 3537 342e 3935 2c2d 795.11C1574.95,-\n+00018680: 3831 312e 3131 2031 3532 322e 3632 2c2d 811.11 1522.62,-\n+00018690: 3834 322e 3120 3134 3734 2e35 362c 2d38 842.1 1474.56,-8\n+000186a0: 3630 2e31 3820 3134 3231 2e31 322c 2d38 60.18 1421.12,-8\n+000186b0: 3830 2e32 3820 3133 3536 2e36 312c 2d38 80.28 1356.61,-8\n+000186c0: 3933 2e38 3820 3133 3134 2e34 322c 2d39 93.88 1314.42,-9\n+000186d0: 3031 2e34 3322 2f3e 0a3c 706f 6c79 676f 01.43\"/>.<polygo\n+000186e0: 6e20 6669 6c6c 3d22 7265 6422 2073 7472 n fill=\"red\" str\n+000186f0: 6f6b 653d 2272 6564 2220 706f 696e 7473 oke=\"red\" points\n+00018700: 3d22 3133 3133 2e37 2c2d 3839 3820 3133 =\"1313.7,-898 13\n+00018710: 3034 2e34 352c 2d39 3033 2e31 3820 3133 04.45,-903.18 13\n+00018720: 3134 2e39 312c 2d39 3034 2e39 2031 3331 14.91,-904.9 131\n+00018730: 332e 372c 2d38 3938 222f 3e0a 3c2f 673e 3.7,-898\"/>.</g>\n+00018740: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00018750: 5f67 726f 6d61 6373 5f6d 646c 6962 2623 _gromacs_mdlib&#\n+00018760: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00018770: 635f 6772 6f6d 6163 735f 6577 616c 6420 c_gromacs_ewald \n 00018780: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-00018790: 3439 2220 636c 6173 733d 2265 6467 6522 49\" class=\"edge\"\n+00018790: 3438 2220 636c 6173 733d 2265 6467 6522 48\" class=\"edge\"\n 000187a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n 000187b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n 000187c0: 6226 2334 353b 2667 743b 6d6f 6475 6c65 b->module\n-000187d0: 5f73 7263 5f67 726f 6d61 6373 5f74 7261 _src_gromacs_tra\n-000187e0: 6a65 6374 6f72 793c 2f74 6974 6c65 3e0a jectory.\n-000187f0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-00018970: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00018980: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n-00018990: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-000189a0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n-000189b0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_\n-00018df0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n-00018e00: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n-00018e10: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-00018e20: 7275 6e75 7469 6c69 7479 3c2f 7469 746c runutility</titl\n-00018e30: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-00018e40: 6f6e 6522 2073 7472 6f6b 653d 2223 3238 one\" stroke=\"#28\n-00018e50: 3266 6363 2220 7374 726f 6b65 2d64 6173 2fcc\" stroke-das\n-00018e60: 6861 7272 6179 3d22 352c 3222 2064 3d22 harray=\"5,2\" d=\"\n-00018e70: 4d31 3036 332e 3037 2c2d 3636 342e 3343 M1063.07,-664.3C\n-00018e80: 3130 3731 2e33 362c 2d36 3636 2e36 3120 1071.36,-666.61 \n-00018e90: 3130 3830 2e33 382c 2d36 3639 2e33 3220 1080.38,-669.32 \n-00018ea0: 3130 3838 2e35 362c 2d36 3731 2e35 3720 1088.56,-671.57 \n-00018eb0: 3131 3533 2c2d 3638 392e 3238 2031 3137 1153,-689.28 117\n-00018ec0: 382e 3839 2c2d 3637 302e 3539 2031 3233 8.89,-670.59 123\n-00018ed0: 342e 3536 2c2d 3730 372e 3537 2031 3234 4.56,-707.57 124\n-00018ee0: 362e 3936 2c2d 3731 352e 3831 2031 3234 6.96,-715.81 124\n-00018ef0: 322e 382c 2d37 3235 2e33 3220 3132 3534 2.8,-725.32 1254\n-00018f00: 2e35 362c 2d37 3334 2e34 3420 3132 3837 .56,-734.44 1287\n-00018f10: 2e39 352c 2d37 3630 2e33 3420 3133 3036 .95,-760.34 1306\n-00018f20: 2e34 352c 2d37 3438 2e34 3920 3133 3432 .45,-748.49 1342\n-00018f30: 2e35 362c 2d37 3730 2e34 3420 3134 3835 .56,-770.44 1485\n-00018f40: 2e36 362c 2d38 3537 2e34 3520 3134 3834 .66,-857.45 1484\n-00018f50: 2e34 382c 2d39 3234 2e33 3420 3135 3936 .48,-924.34 1596\n-00018f60: 2e35 362c 2d31 3034 382e 3739 2031 3630 .56,-1048.79 160\n-00018f70: 352e 3132 2c2d 3130 3538 2e32 3920 3136 5.12,-1058.29 16\n-00018f80: 3134 2e39 322c 2d31 3036 382e 3439 2031 14.92,-1068.49 1\n-00018f90: 3632 322e 3635 2c2d 3130 3737 2e30 3722 622.65,-1077.07\"\n-00018fa0: 2f3e 0a3c 706f 6c79 676f 6e20 6669 6c6c />.<polygon fill\n-00018fb0: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-00018fc0: 653d 2223 3238 3266 6363 2220 706f 696e e=\"#282fcc\" poin\n-00018fd0: 7473 3d22 3136 3230 2e31 312c 2d31 3037 ts=\"1620.11,-107\n-00018fe0: 392e 3439 2031 3632 392e 3333 2c2d 3130 9.49 1629.33,-10\n-00018ff0: 3834 2e37 3220 3136 3235 2e33 392c 2d31 84.72 1625.39,-1\n-00019000: 3037 342e 3839 2031 3632 302e 3131 2c2d 074.89 1620.11,-\n-00019010: 3130 3739 2e34 3922 2f3e 0a3c 2f67 3e0a 1079.49\"/>.</g>.\n-00019020: 3c21 2d2d 206d 6f64 756c 655f 7372 635f <!-- module_src_\n-00019030: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00019040: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019050: 635f 6772 6f6d 6163 735f 6d64 7370 616e c_gromacs_mdspan\n-00019060: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n-00019070: 3136 3022 2063 6c61 7373 3d22 6564 6765 160\" class=\"edge\n-00019080: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n-00019090: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-000190a0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n-000190b0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000190c0: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan...<\n-00019220: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mo\n-00019290: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000192a0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-000192b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000192c0: 6373 5f67 6d78 6c69 623c 2f74 6974 6c65 cs_gmxlib</title\n-000192d0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-000192e0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-000192f0: 6662 6622 2064 3d22 4d31 3036 302e 3537 fbf\" d=\"M1060.57\n-00019300: 2c2d 3636 362e 3237 4331 3036 362e 3639 ,-666.27C1066.69\n-00019310: 2c2d 3636 382e 3132 2031 3037 332e 3335 ,-668.12 1073.35\n-00019320: 2c2d 3637 302e 3033 2031 3037 392e 3536 ,-670.03 1079.56\n-00019330: 2c2d 3637 312e 3537 2031 3136 312e 3239 ,-671.57 1161.29\n-00019340: 2c2d 3639 312e 3832 2031 3139 312e 3932 ,-691.82 1191.92\n-00019350: 2c2d 3636 362e 3734 2031 3236 352e 3536 ,-666.74 1265.56\n-00019360: 2c2d 3730 372e 3537 2031 3237 392e 3833 ,-707.57 1279.83\n-00019370: 2c2d 3731 352e 3438 2031 3237 352e 3932 ,-715.48 1275.92\n-00019380: 2c2d 3732 372e 3235 2031 3239 302e 3536 ,-727.25 1290.56\n-00019390: 2c2d 3733 342e 3434 2031 3333 342e 3034 ,-734.44 1334.04\n-000193a0: 2c2d 3735 352e 3738 2031 3636 312e 3833 ,-755.78 1661.83\n-000193b0: 2c2d 3737 342e 3636 2031 3737 392e 3034 ,-774.66 1779.04\n-000193c0: 2c2d 3738 302e 3739 222f 3e0a 3c70 6f6c ,-780.79\"/>.<pol\n-000193d0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-000193e0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-000193f0: 6662 6622 2070 6f69 6e74 733d 2231 3737 fbf\" points=\"177\n-00019400: 382e 392c 2d37 3834 2e32 3820 3137 3839 8.9,-784.28 1789\n-00019410: 2e30 372c 2d37 3831 2e33 3120 3137 3739 .07,-781.31 1779\n-00019420: 2e32 362c 2d37 3737 2e32 3920 3137 3738 .26,-777.29 1778\n-00019430: 2e39 2c2d 3738 342e 3238 222f 3e0a 3c2f .9,-784.28\"/>.</\n-00019440: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-00019450: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00019460: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n-00019470: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-00019480: 7061 7420 2d2d 3e0a 3c67 2069 643d 2265 pat -->.<g id=\"e\n-00019490: 6467 6531 3633 2220 636c 6173 733d 2265 dge163\" class=\"e\n-000194a0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n-000194b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000194c0: 6669 6c65 696f 2623 3435 3b26 6774 3b6d fileio->m\n-000194d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000194e0: 735f 636f 6d70 6174 3c2f 7469 746c 653e s_compat\n-000194f0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-00019670: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_grom\n-000196f0: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n-00019700: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00019710: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes.....\n-000198d0: 3c67 2069 643d 2265 6467 6531 3634 2220 .module_src_\n-00019900: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n-00019910: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00019920: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00019930: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory....\n-00019ac0: 0a3c 6720 6964 3d22 6564 6765 3136 3722 ..<\n-00019ae0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00019af0: 5f67 726f 6d61 6373 5f66 696c 6569 6f26 _gromacs_fileio&\n-00019b00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00019b10: 7263 5f67 726f 6d61 6373 5f6d 6f64 756c rc_gromacs_modul\n-00019b20: 6172 7369 6d75 6c61 746f 723c 2f74 6974 arsimulator......mo\n-00019cb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00019cc0: 5f66 696c 6569 6f26 2334 353b 2667 743b _fileio->\n-00019cd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00019ce0: 6373 5f61 7070 6c69 6564 5f66 6f72 6365 cs_applied_force\n-00019cf0: 735f 6177 683c 2f74 6974 6c65 3e0a 3c70 s_awh....\n-0001a0c0: 0a3c 6720 6964 3d22 6564 6765 3137 3522 ..<\n-0001a0e0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001a0f0: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n-0001a100: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001a110: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-0001a120: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-0001a130: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....modul\n-0001a360: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0001a370: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-0001a380: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001a390: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n-0001a3a0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001a3b0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001a3c0: 6662 6622 2064 3d22 4d31 3936 342e 3533 fbf\" d=\"M1964.53\n-0001a3d0: 2c2d 3438 302e 3339 4331 3938 322e 322c ,-480.39C1982.2,\n-0001a3e0: 2d34 3838 2e39 3820 3230 3037 2e30 352c -488.98 2007.05,\n-0001a3f0: 2d35 3032 2e36 3120 3230 3235 2e35 362c -502.61 2025.56,\n-0001a400: 2d35 3138 2e39 3620 3230 3531 2e39 312c -518.96 2051.91,\n-0001a410: 2d35 3432 2e32 3320 3230 3534 2e32 392c -542.23 2054.29,\n-0001a420: 2d35 3532 2e34 3320 3230 3733 2e35 362c -552.43 2073.56,\n-0001a430: 2d35 3831 2e38 3320 3230 3938 2e35 392c -581.83 2098.59,\n-0001a440: 2d36 3230 2e30 3220 3230 3931 2e35 362c -620.02 2091.56,\n-0001a450: 2d36 3339 2032 3132 332e 3536 2c2d 3637 -639 2123.56,-67\n-0001a460: 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7263 5f67 726f - module_src_gro\n-0001a550: 6d61 6373 5f64 6f6d 6465 6326 2334 353b macs_domdec-\n-0001a560: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001a570: 726f 6d61 6373 5f68 6172 6477 6172 6520 romacs_hardware \n-0001a580: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n-0001a590: 3738 2220 636c 6173 733d 2265 6467 6522 78\" class=\"edge\"\n-0001a5a0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-0001a5b0: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n-0001a5c0: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n-0001a5d0: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n-0001a5e0: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n-0001a5f0: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001a600: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001a610: 2220 643d 224d 3139 3638 2e39 352c 2d34 \" d=\"M1968.95,-4\n-0001a620: 3739 2e30 3143 3139 3930 2e34 382c 2d34 79.01C1990.48,-4\n-0001a630: 3836 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.92\"/>.....m\n+000187d0: 5f73 7263 5f67 726f 6d61 6373 5f65 7761 _src_gromacs_ewa\n+000187e0: 6c64 3c2f 7469 746c 653e 0a3c 7061 7468 ld...<\n+000189c0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modu\n+00018c50: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00018c60: 646c 6962 2623 3435 3b26 6774 3b6d 6f64 dlib->mod\n+00018c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00018c80: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n+00018c90: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00018ca0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00018cb0: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00018cc0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00018cd0: 3d22 4d31 3538 382e 3236 2c2d 3738 312e =\"M1588.26,-781.\n+00018ce0: 3938 4331 3439 312e 3237 2c2d 3737 382e 98C1491.27,-778.\n+00018cf0: 3635 2031 3137 362e 3437 2c2d 3736 352e 65 1176.47,-765.\n+00018d00: 3520 3131 3434 2e35 362c 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2.12\"/>.</g>.<!-\n+00018df0: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+00018e00: 6d61 6373 5f6d 646c 6962 2623 3435 3b26 macs_mdlib-&\n+00018e10: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00018e20: 6f6d 6163 735f 6861 7264 7761 7265 202d omacs_hardware -\n+00018e30: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135 ->.<g id=\"edge15\n+00018e40: 3022 2063 6c61 7373 3d22 6564 6765 223e 0\" class=\"edge\">\n+00018e50: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+00018e60: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00018e70: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00018e80: 7372 635f 6772 6f6d 6163 735f 6861 7264 src_gromacs_hard\n+00018e90: 7761 7265 3c2f 7469 746c 653e 0a3c 7061 ware.....\n+00018ff0: 3c67 2069 643d 2265 6467 6531 3339 2220 .module_src_\n+00019020: 6772 6f6d 6163 735f 6d64 6c69 6226 2334 gromacs_mdlib\n+00019030: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00019040: 5f67 726f 6d61 6373 5f72 616e 646f 6d3c _gromacs_random<\n+00019050: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..\n+00019220: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 ....modul\n+00019300: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00019310: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00019320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+00019330: 6162 6c65 733c 2f74 6974 6c65 3e0a 3c70 ables..<\n+000193f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00019400: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00019410: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00019420: 3232 3133 2e32 332c 2d37 3335 2e35 2032 2213.23,-735.5 2\n+00019430: 3232 322e 3031 2c2d 3732 392e 3537 2032 222.01,-729.57 2\n+00019440: 3231 312e 3435 2c2d 3732 382e 3734 2032 211.45,-728.74 2\n+00019450: 3231 332e 3233 2c2d 3733 352e 3522 2f3e 213.23,-735.5\"/>\n+00019460: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modul\n+000194e0: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+000194f0: 6c69 6226 2334 353b 2667 743b 6d6f 6475 lib->modu\n+00019500: 6c65 5f73 7263 5f67 726f 6d61 6373 5f61 le_src_gromacs_a\n+00019510: 7070 6c69 6564 5f66 6f72 6365 735f 6177 pplied_forces_aw\n+00019520: 683c 2f74 6974 6c65 3e0a 3c70 6174 6820 h....\n+00019650: 3c21 2d2d 206d 6f64 756c 655f 7372 635f .\n+00019690: 3c67 2069 643d 2265 6467 6531 3630 2220 .module_src_\n+000196c0: 6772 6f6d 6163 735f 6669 6c65 696f 2623 gromacs_fileio&#\n+000196d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000196e0: 635f 7465 7374 7574 696c 733c 2f74 6974 c_testutils......\n+000198e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+000198f0: 635f 6772 6f6d 6163 735f 6669 6c65 696f c_gromacs_fileio\n+00019900: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00019910: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00019920: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.\n+000199f0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 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3337 3.21,-473.34 237\n+0001a030: 342e 3133 2c2d 3438 302e 3238 222f 3e0a 4.13,-480.28\"/>.\n+0001a040: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001a050: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0001a060: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+0001a070: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001a080: 6f64 756c 6172 7369 6d75 6c61 746f 7220 odularsimulator \n+0001a090: 2d2d 3e0a 3c67 2069 643d 2265 6467 6531 -->.<g id=\"edge1\n+0001a0a0: 3539 2220 636c 6173 733d 2265 6467 6522 59\" class=\"edge\"\n+0001a0b0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+0001a0c0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+0001a0d0: 696f 2623 3435 3b26 6774 3b6d 6f64 756c io->modul\n+0001a0e0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+0001a0f0: 6475 6c61 7273 696d 756c 6174 6f72 3c2f dularsimulator</\n+0001a100: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001a110: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001a120: 2272 6564 2220 643d 224d 3138 3736 2e35 \"red\" d=\"M1876.5\n+0001a130: 2c2d 3533 302e 3335 4331 3831 322e 3537 ,-530.35C1812.57\n+0001a140: 2c2d 3532 372e 3139 2031 3635 352e 3737 ,-527.19 1655.77\n+0001a150: 2c2d 3531 352e 3834 2031 3631 372e 3536 ,-515.84 1617.56\n+0001a160: 2c2d 3438 322e 3936 2031 3538 352e 3639 ,-482.96 1585.69\n+0001a170: 2c2d 3435 352e 3533 2031 3631 392e 3334 ,-455.53 1619.34\n+0001a180: 2c2d 3432 302e 3736 2031 3538 372e 3536 ,-420.76 1587.56\n+0001a190: 2c2d 3339 332e 3232 2031 3535 392e 3737 ,-393.22 1559.77\n+0001a1a0: 2c2d 3336 392e 3133 2031 3436 362e 3333 ,-369.13 1466.33\n+0001a1b0: 2c2d 3335 362e 3338 2031 3430 302e 3039 ,-356.38 1400.09\n+0001a1c0: 2c2d 3335 302e 3132 222f 3e0a 3c70 6f6c ,-350.12\"/>.<pol\n+0001a1d0: 7967 6f6e 2066 696c 6c3d 2272 6564 2220 ygon fill=\"red\" \n+0001a1e0: 7374 726f 6b65 3d22 7265 6422 2070 6f69 stroke=\"red\" poi\n+0001a1f0: 6e74 733d 2231 3430 302e 342c 2d33 3436 nts=\"1400.4,-346\n+0001a200: 2e36 3320 3133 3930 2e31 322c 2d33 3439 .63 1390.12,-349\n+0001a210: 2e32 3120 3133 3939 2e37 362c 2d33 3533 .21 1399.76,-353\n+0001a220: 2e36 2031 3430 302e 342c 2d33 3436 2e36 .6 1400.4,-346.6\n+0001a230: 3322 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 3\"/>.</g>.<!-- m\n+0001a240: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001a250: 735f 6669 6c65 696f 2623 3435 3b26 6774 s_fileio->\n+0001a260: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001a270: 6163 735f 6d64 7275 6e75 7469 6c69 7479 acs_mdrunutility\n+0001a280: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001a290: 3135 3822 2063 6c61 7373 3d22 6564 6765 158\" class=\"edge\n+0001a2a0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001a2b0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+0001a2c0: 6569 6f26 2334 353b 2667 743b 6d6f 6475 eio->modu\n+0001a2d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001a2e0: 6472 756e 7574 696c 6974 793c 2f74 6974 drunutility</tit\n+0001a2f0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001a300: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n+0001a310: 3832 6663 6322 2073 7472 6f6b 652d 6461 82fcc\" stroke-da\n+0001a320: 7368 6172 7261 793d 2235 2c32 2220 643d sharray=\"5,2\" d=\n+0001a330: 224d 3138 3736 2e37 322c 2d35 3239 2e35 \"M1876.72,-529.5\n+0001a340: 3443 3137 3632 2e35 352c 2d35 3231 2e32 4C1762.55,-521.2\n+0001a350: 3320 3133 3137 2e31 342c 2d34 3837 2e32 3 1317.14,-487.2\n+0001a360: 3820 3131 3630 2e34 312c 2d34 3734 2e39 8 1160.41,-474.9\n+0001a370: 3922 2f3e 0a3c 706f 6c79 676f 6e20 6669 9\"/>.<polygon fi\n+0001a380: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0001a390: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0001a3a0: 696e 7473 3d22 3131 3630 2e33 312c 2d34 ints=\"1160.31,-4\n+0001a3b0: 3731 2e34 3820 3131 3530 2e30 372c 2d34 71.48 1150.07,-4\n+0001a3c0: 3734 2e31 3820 3131 3539 2e37 362c 2d34 74.18 1159.76,-4\n+0001a3d0: 3738 2e34 3520 3131 3630 2e33 312c 2d34 78.45 1160.31,-4\n+0001a3e0: 3731 2e34 3822 2f3e 0a3c 2f67 3e0a 3c21 71.48\"/>.</g>.<!\n+0001a3f0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001a400: 6f6d 6163 735f 6669 6c65 696f 2623 3435 omacs_fileio-\n+0001a410: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001a420: 6772 6f6d 6163 735f 6d64 7370 616e 202d gromacs_mdspan -\n+0001a430: 2d3e 0a3c 6720 6964 3d22 6564 6765 3135 ->.<g id=\"edge15\n+0001a440: 3222 2063 6c61 7373 3d22 6564 6765 223e 2\" class=\"edge\">\n+0001a450: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001a460: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0001a470: 6f26 2334 353b 2667 743b 6d6f 6475 6c65 o->module\n+0001a480: 5f73 7263 5f67 726f 6d61 6373 5f6d 6473 _src_gromacs_mds\n+0001a490: 7061 6e3c 2f74 6974 6c65 3e0a 3c70 6174 pan......module_src_grom\n+0001a660: 6163 735f 6669 6c65 696f 2623 3435 3b26 acs_fileio-&\n+0001a670: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001a680: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n+0001a690: 7263 6573 5f61 7768 3c2f 7469 746c 653e rces_awh\n+0001a6a0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n-0001a9e0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-0001a9f0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n-0001aa00: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001aa10: 5f6e 626e 786d 3c2f 7469 746c 653e 0a3c _nbnxm.<\n-0001aa20: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001aa30: 2073 7472 6f6b 653d 2223 3238 3266 6363 stroke=\"#282fcc\n-0001aa40: 2220 7374 726f 6b65 2d64 6173 6861 7272 \" stroke-dasharr\n-0001aa50: 6179 3d22 352c 3222 2064 3d22 4d31 3937 ay=\"5,2\" d=\"M197\n-0001aa60: 372e 3338 2c2d 3436 352e 3433 4332 3131 7.38,-465.43C211\n-0001aa70: 322e 3231 2c2d 3435 332e 3533 2032 3539 2.21,-453.53 259\n-0001aa80: 312e 3536 2c2d 3430 382e 3238 2032 3539 1.56,-408.28 259\n-0001aa90: 312e 3536 2c2d 3334 342e 3739 2032 3539 1.56,-344.79 259\n-0001aaa0: 312e 3536 2c2d 3334 342e 3739 2032 3539 1.56,-344.79 259\n-0001aab0: 312e 3536 2c2d 3334 342e 3739 2032 3539 1.56,-344.79 259\n-0001aac0: 312e 3536 2c2d 3237 392e 3932 2032 3539 1.56,-279.92 259\n-0001aad0: 312e 3536 2c2d 3232 302e 3836 2032 3539 1.56,-220.86 259\n-0001aae0: 302e 3034 2c2d 3135 312e 3320 3235 3932 0.04,-151.3 2592\n-0001aaf0: 2e34 312c 2d31 3136 2e31 3322 2f3e 0a3c .41,-116.13\"/>.<\n-0001ab00: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001ab10: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001ab20: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001ab30: 3235 3935 2e39 312c 2d31 3136 2e32 3520 2595.91,-116.25 \n-0001ab40: 3235 3933 2e33 332c 2d31 3035 2e39 3720 2593.33,-105.97 \n-0001ab50: 3235 3838 2e39 342c 2d31 3135 2e36 3220 2588.94,-115.62 \n-0001ab60: 3235 3935 2e39 312c 2d31 3136 2e32 3522 2595.91,-116.25\"\n-0001ab70: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....module_src_grom\n-0001abf0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-0001ac00: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001ac10: 6f6d 6163 735f 6d64 7275 6e3c 2f74 6974 omacs_mdrun......module_src_gr\n-0001ad90: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n-0001ada0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001adb0: 6772 6f6d 6163 735f 696d 643c 2f74 6974 gromacs_imd......module_src_grom\n-0001afc0: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n-0001afd0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001afe0: 6f6d 6163 735f 676d 786c 6962 3c2f 7469 omacs_gmxlib..\n-0001b100: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....\n-0001b170: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b180: 6373 5f64 6f6d 6465 6326 2334 353b 2667 cs_domdec-&g\n-0001b190: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001b1a0: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat</tit\n-0001b1b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n-0001b1c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2332 none\" stroke=\"#2\n-0001b1d0: 3832 6663 6322 2064 3d22 4d31 3935 382e 82fcc\" d=\"M1958.\n-0001b1e0: 3431 2c2d 3435 372e 3234 4332 3030 322e 41,-457.24C2002.\n-0001b1f0: 3635 2c2d 3432 352e 3235 2032 3132 392e 65,-425.25 2129.\n-0001b200: 392c 2d33 3239 2e39 3220 3232 3136 2e35 9,-329.92 2216.5\n-0001b210: 362c 2d32 3331 2e34 3820 3232 3331 2e34 6,-231.48 2231.4\n-0001b220: 322c 2d32 3134 2e36 2032 3234 352e 332c 2,-214.6 2245.3,\n-0001b230: 2d31 3933 2e30 3320 3232 3534 2e36 352c -193.03 2254.65,\n-0001b240: 2d31 3737 2e33 3122 2f3e 0a3c 706f 6c79 -177.31\"/>.<poly\n-0001b250: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n-0001b260: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n-0001b270: 6363 2220 706f 696e 7473 3d22 3232 3537 cc\" points=\"2257\n-0001b280: 2e38 352c 2d31 3738 2e37 3720 3232 3539 .85,-178.77 2259\n-0001b290: 2e38 362c 2d31 3638 2e33 3620 3232 3531 .86,-168.36 2251\n-0001b2a0: 2e38 2c2d 3137 352e 3235 2032 3235 372e .8,-175.25 2257.\n-0001b2b0: 3835 2c2d 3137 382e 3737 222f 3e0a 3c2f 85,-178.77\"/>.</\n-0001b2c0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n-0001b2d0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001b2e0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n-0001b2f0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-0001b300: 7970 6573 202d 2d3e 0a3c 6720 6964 3d22 ypes -->.<g id=\"\n-0001b310: 6564 6765 3137 3022 2063 6c61 7373 3d22 edge170\" class=\"\n-0001b320: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-0001b330: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001b340: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n-0001b350: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001b360: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n-0001b370: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001b380: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001b390: 6266 6266 2220 643d 224d 3139 3533 2e33 bfbf\" d=\"M1953.3\n-0001b3a0: 322c 2d34 3832 2e35 3943 3139 3631 2e38 2,-482.59C1961.8\n-0001b3b0: 372c 2d34 3937 2e37 3420 3139 3732 2e36 7,-497.74 1972.6\n-0001b3c0: 382c 2d35 3234 2e33 3520 3139 3834 2e35 8,-524.35 1984.5\n-0001b3d0: 362c 2d35 3435 2e38 3320 3139 3839 2e38 6,-545.83 1989.8\n-0001b3e0: 322c 2d35 3535 2e33 3420 3230 3931 2e33 2,-555.34 2091.3\n-0001b3f0: 362c 2d36 3937 2e31 3820 3230 3934 2e35 6,-697.18 2094.5\n-0001b400: 362c 2d37 3037 2e35 3720 3230 3938 2e30 6,-707.57 2098.0\n-0001b410: 372c 2d37 3138 2e39 3820 3230 3938 2e39 7,-718.98 2098.9\n-0001b420: 332c 2d37 3233 2e33 3320 3230 3934 2e35 3,-723.33 2094.5\n-0001b430: 362c 2d37 3334 2e34 3420 3230 3636 2e34 6,-734.44 2066.4\n-0001b440: 382c 2d38 3035 2e38 3720 3139 3933 2e37 8,-805.87 1993.7\n-0001b450: 382c 2d38 3635 2e33 3920 3139 3532 2e36 8,-865.39 1952.6\n-0001b460: 312c 2d38 3932 2e36 3422 2f3e 0a3c 706f 1,-892.64\"/>.<po\n-0001b470: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-0001b480: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-0001b490: 6266 6266 2220 706f 696e 7473 3d22 3139 bfbf\" points=\"19\n-0001b4a0: 3530 2e36 312c 2d38 3839 2e37 3720 3139 50.61,-889.77 19\n-0001b4b0: 3434 2e30 392c 2d38 3938 2e31 3120 3139 44.09,-898.11 19\n-0001b4c0: 3534 2e33 392c 2d38 3935 2e36 3620 3139 54.39,-895.66 19\n-0001b4d0: 3530 2e36 312c 2d38 3839 2e37 3722 2f3e 50.61,-889.77\"/>\n-0001b4e0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001b4f0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0001b500: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-0001b510: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b520: 6d64 6c69 6220 2d2d 3e0a 3c67 2069 643d mdlib -->.<g id=\n-0001b530: 2265 6467 6531 3734 2220 636c 6173 733d \"edge174\" class=\n-0001b540: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001b550: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b560: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001b570: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001b580: 6163 735f 6d64 6c69 623c 2f74 6974 6c65 acs_mdlib</title\n-0001b590: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001b5a0: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n-0001b5b0: 6662 6622 2064 3d22 4d31 3930 372e 3134 fbf\" d=\"M1907.14\n-0001b5c0: 2c2d 3436 362e 3634 4331 3836 392e 3935 ,-466.64C1869.95\n-0001b5d0: 2c2d 3436 322e 3937 2031 3831 322e 3334 ,-462.97 1812.34\n-0001b5e0: 2c2d 3435 322e 3132 2031 3737 352e 3536 ,-452.12 1775.56\n-0001b5f0: 2c2d 3432 302e 3039 2031 3731 392e 3134 ,-420.09 1719.14\n-0001b600: 2c2d 3337 302e 3937 2031 3736 312e 3739 ,-370.97 1761.79\n-0001b610: 2c2d 3331 352e 3636 2031 3730 342e 3536 ,-315.66 1704.56\n-0001b620: 2c2d 3236 372e 3438 2031 3636 362e 3835 ,-267.48 1666.85\n-0001b630: 2c2d 3233 352e 3733 2031 3631 302e 3232 ,-235.73 1610.22\n-0001b640: 2c2d 3232 342e 3634 2031 3537 322e 3732 ,-224.64 1572.72\n-0001b650: 2c2d 3232 302e 3834 222f 3e0a 3c70 6f6c ,-220.84\"/>.<pol\n-0001b660: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n-0001b670: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n-0001b680: 6662 6622 2070 6f69 6e74 733d 2231 3537 fbf\" points=\"157\n-0001b690: 322e 3935 2c2d 3231 372e 3335 2031 3536 2.95,-217.35 156\n-0001b6a0: 322e 3638 2c2d 3231 392e 3936 2031 3537 2.68,-219.96 157\n-0001b6b0: 322e 3333 2c2d 3232 342e 3332 2031 3537 2.33,-224.32 157\n-0001b6c0: 322e 3935 2c2d 3231 372e 3335 222f 3e0a 2.95,-217.35\"/>.\n-0001b6d0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001b6e0: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n-0001b6f0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n-0001b700: 6c65 5f73 7263 5f67 726f 6d61 6373 5f66 le_src_gromacs_f\n-0001b710: 696c 6569 6f20 2d2d 3e0a 3c67 2069 643d ileio -->.<g id=\n-0001b720: 2265 6467 6531 3639 2220 636c 6173 733d \"edge169\" class=\n-0001b730: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001b740: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b750: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001b760: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001b770: 6163 735f 6669 6c65 696f 3c2f 7469 746c acs_fileio</titl\n-0001b780: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n-0001b790: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n-0001b7a0: 6266 6266 2220 643d 224d 3139 3132 2e30 bfbf\" d=\"M1912.0\n-0001b7b0: 372c 2d34 3736 2e38 3243 3137 3735 2e31 7,-476.82C1775.1\n-0001b7c0: 312c 2d35 3035 2e30 3920 3132 3137 2e31 1,-505.09 1217.1\n-0001b7d0: 342c 2d36 3230 2e32 3720 3130 3732 2e37 4,-620.27 1072.7\n-0001b7e0: 392c 2d36 3530 2e30 3722 2f3e 0a3c 706f 9,-650.07\"/>.<po\n-0001b7f0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n-0001b800: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n-0001b810: 6266 6266 2220 706f 696e 7473 3d22 3130 bfbf\" points=\"10\n-0001b820: 3731 2e38 332c 2d36 3436 2e36 3920 3130 71.83,-646.69 10\n-0001b830: 3632 2e37 342c 2d36 3532 2e31 3420 3130 62.74,-652.14 10\n-0001b840: 3733 2e32 342c 2d36 3533 2e35 3520 3130 73.24,-653.55 10\n-0001b850: 3731 2e38 332c 2d36 3436 2e36 3922 2f3e 71.83,-646.69\"/>\n-0001b860: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-0001b870: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n-0001b880: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n-0001b890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001b8a0: 6577 616c 6420 2d2d 3e0a 3c67 2069 643d ewald -->.<g id=\n-0001b8b0: 2265 6467 6531 3732 2220 636c 6173 733d \"edge172\" class=\n-0001b8c0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001b8d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001b8e0: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n-0001b8f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001b900: 6163 735f 6577 616c 643c 2f74 6974 6c65 acs_ewald</title\n-0001b910: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001b920: 6e65 2220 7374 726f 6b65 3d22 7265 6422 ne\" stroke=\"red\"\n-0001b930: 2064 3d22 4d31 3930 392e 3038 2c2d 3436 d=\"M1909.08,-46\n-0001b940: 342e 3435 4331 3835 372e 3435 2c2d 3435 4.45C1857.45,-45\n-0001b950: 372e 3034 2031 3736 322e 3234 2c2d 3434 7.04 1762.24,-44\n-0001b960: 302e 3235 2031 3733 352e 3536 2c2d 3432 0.25 1735.56,-42\n-0001b970: 302e 3039 2031 3639 382e 3935 2c2d 3339 0.09 1698.95,-39\n-0001b980: 322e 3434 2031 3731 362e 3733 2c2d 3336 2.44 1716.73,-36\n-0001b990: 332e 3036 2031 3638 342e 3536 2c2d 3333 3.06 1684.56,-33\n-0001b9a0: 302e 3335 2031 3637 302e 3833 2c2d 3331 0.35 1670.83,-31\n-0001b9b0: 362e 3339 2031 3635 322e 3236 2c2d 3330 6.39 1652.26,-30\n-0001b9c0: 342e 3938 2031 3633 372e 3135 2c2d 3239 4.98 1637.15,-29\n-0001b9d0: 362e 3735 222f 3e0a 3c70 6f6c 7967 6f6e 6.75\"/>.<polygon\n-0001b9e0: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n-0001b9f0: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n-0001ba00: 2231 3633 382e 3734 2c2d 3239 332e 3633 \"1638.74,-293.63\n-0001ba10: 2031 3632 382e 3236 2c2d 3239 322e 3034 1628.26,-292.04\n-0001ba20: 2031 3633 352e 3436 2c2d 3239 392e 3832 1635.46,-299.82\n-0001ba30: 2031 3633 382e 3734 2c2d 3239 332e 3633 1638.74,-293.63\n-0001ba40: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n-0001ba50: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ba60: 5f65 6e65 7267 7961 6e61 6c79 7369 7320 _energyanalysis \n-0001ba70: 2d2d 3e0a 3c67 2069 643d 226e 6f64 6533 -->.<g id=\"node3\n-0001ba80: 3422 2063 6c61 7373 3d22 6e6f 6465 223e 4\" class=\"node\">\n-0001ba90: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001baa0: 7263 5f67 726f 6d61 6373 5f65 6e65 7267 rc_gromacs_energ\n-0001bab0: 7961 6e61 6c79 7369 733c 2f74 6974 6c65 yanalysis</title\n-0001bac0: 3e0a 3c67 2069 643d 2261 5f6e 6f64 6533 >.<g id=\"a_node3\n-0001bad0: 3422 3e3c 6120 786c 696e 6b3a 6872 6566 4\"><a xlink:href\n-0001bae0: 3d22 6772 6f75 705f 5f6d 6f64 756c 655f =\"group__module_\n-0001baf0: 5f65 6e65 7267 7961 6e61 6c79 7369 732e _energyanalysis.\n-0001bb00: 7868 746d 6c22 2074 6172 6765 743d 225f xhtml\" target=\"_\n-0001bb10: 746f 7022 2078 6c69 6e6b 3a74 6974 6c65 top\" xlink:title\n-0001bb20: 3d22 656e 6572 6779 616e 616c 7973 6973 =\"energyanalysis\n-0001bb30: 223e 0a3c 656c 6c69 7073 6520 6669 6c6c \">.<ellipse fill\n-0001bb40: 3d22 2366 6663 6363 6322 2073 7472 6f6b =\"#ffcccc\" strok\n-0001bb50: 653d 2262 6c61 636b 2220 6378 3d22 3131 e=\"black\" cx=\"11\n-0001bb60: 3932 2e35 3622 2063 793d 222d 3738 332e 92.56\" cy=\"-783.\n-0001bb70: 3838 2220 7278 3d22 3536 2e36 3422 2072 88\" rx=\"56.64\" r\n-0001bb80: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n-0001bb90: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n-0001bba0: 6964 646c 6522 2078 3d22 3131 3932 2e35 iddle\" x=\"1192.5\n-0001bbb0: 3622 2079 3d22 2d37 3831 2e33 3822 2066 6\" y=\"-781.38\" f\n-0001bbc0: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n-0001bbd0: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n-0001bbe0: 2231 302e 3030 223e 656e 6572 6779 616e \"10.00\">energyan\n-0001bbf0: 616c 7973 6973 3c2f 7465 7874 3e0a 3c2f alysis</text>.</\n-0001bc00: 613e 0a3c 2f67 3e0a 3c2f 673e 0a3c 212d a>.</g>.</g>.<!-\n-0001bc10: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n-0001bc20: 6d61 6373 5f65 6e65 7267 7961 6e61 6c79 macs_energyanaly\n-0001bc30: 7369 7326 2334 353b 2667 743b 6d6f 6475 sis->modu\n-0001bc40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001bc50: 6d78 616e 6120 2d2d 3e0a 3c67 2069 643d mxana -->.<g id=\n-0001bc60: 2265 6467 6531 3835 2220 636c 6173 733d \"edge185\" class=\n-0001bc70: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001bc80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001bc90: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n-0001bca0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001bcb0: 7372 635f 6772 6f6d 6163 735f 676d 7861 src_gromacs_gmxa\n-0001bcc0: 6e61 3c2f 7469 746c 653e 0a3c 7061 7468 na......\n-0001be60: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001be70: 6373 5f65 6e65 7267 7961 6e61 6c79 7369 cs_energyanalysi\n-0001be80: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-0001be90: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n-0001bea0: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics.\n-0001beb0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n-0001bf30: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modu\n-0001c020: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001c030: 6e65 7267 7961 6e61 6c79 7369 7326 2334 nergyanalysis\n-0001c040: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001c050: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n-0001c060: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001c070: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001c080: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n-0001c090: 3139 322e 3233 2c2d 3737 302e 3236 4331 192.23,-770.26C1\n-0001c0a0: 3139 312e 3134 2c2d 3735 332e 3738 2031 191.14,-753.78 1\n-0001c0b0: 3138 362e 3834 2c2d 3732 342e 3938 2031 186.84,-724.98 1\n-0001c0c0: 3137 302e 3536 2c2d 3730 372e 3537 2031 170.56,-707.57 1\n-0001c0d0: 3136 332e 3436 2c2d 3639 392e 3937 2031 163.46,-699.97 1\n-0001c0e0: 3130 372e 3238 2c2d 3638 312e 3031 2031 107.28,-681.01 1\n-0001c0f0: 3037 302e 3534 2c2d 3636 392e 3222 2f3e 070.54,-669.2\"/>\n-0001c100: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .<polygon fill=\"\n-0001c110: 2362 6662 6662 6622 2073 7472 6f6b 653d #bfbfbf\" stroke=\n-0001c120: 2223 6266 6266 6266 2220 706f 696e 7473 \"#bfbfbf\" points\n-0001c130: 3d22 3130 3731 2e33 342c 2d36 3635 2e37 =\"1071.34,-665.7\n-0001c140: 3820 3130 3630 2e37 352c 2d36 3636 2e30 8 1060.75,-666.0\n-0001c150: 3720 3130 3639 2e32 312c 2d36 3732 2e34 7 1069.21,-672.4\n-0001c160: 3520 3130 3731 2e33 342c 2d36 3635 2e37 5 1071.34,-665.7\n-0001c170: 3822 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 8\"/>.</g>.<!-- m\n-0001c180: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c190: 735f 656e 6572 6779 616e 616c 7973 6973 s_energyanalysis\n-0001c1a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-0001c1b0: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n-0001c1c0: 616e 646c 696e 6520 2d2d 3e0a 3c67 2069 andline -->.<g i\n-0001c1d0: 643d 2265 6467 6531 3832 2220 636c 6173 d=\"edge182\" clas\n-0001c1e0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001c1f0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001c200: 6163 735f 656e 6572 6779 616e 616c 7973 acs_energyanalys\n-0001c210: 6973 2623 3435 3b26 6774 3b6d 6f64 756c is->modul\n-0001c220: 655f 7372 635f 6772 6f6d 6163 735f 636f e_src_gromacs_co\n-0001c230: 6d6d 616e 646c 696e 653c 2f74 6974 6c65 mmandline</title\n-0001c240: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-0001c250: 6e65 2220 7374 726f 6b65 3d22 626c 6163 ne\" stroke=\"blac\n-0001c260: 6b22 2073 7472 6f6b 652d 6461 7368 6172 k\" stroke-dashar\n-0001c270: 7261 793d 2235 2c32 2220 643d 224d 3132 ray=\"5,2\" d=\"M12\n-0001c280: 3230 2e36 322c 2d37 3732 2e31 3343 3132 20.62,-772.13C12\n-0001c290: 3436 2e37 2c2d 3736 322e 3135 2031 3238 46.7,-762.15 128\n-0001c2a0: 352e 3732 2c2d 3734 372e 3231 2031 3331 5.72,-747.21 131\n-0001c2b0: 342e 3338 2c2d 3733 362e 3234 222f 3e0a 4.38,-736.24\"/>.\n-0001c2c0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 <polygon fill=\"b\n-0001c2d0: 6c61 636b 2220 7374 726f 6b65 3d22 626c lack\" stroke=\"bl\n-0001c2e0: 6163 6b22 2070 6f69 6e74 733d 2231 3331 ack\" points=\"131\n-0001c2f0: 352e 3936 2c2d 3733 392e 3338 2031 3332 5.96,-739.38 132\n-0001c300: 342e 3035 2c2d 3733 322e 3534 2031 3331 4.05,-732.54 131\n-0001c310: 332e 3436 2c2d 3733 322e 3835 2031 3331 3.46,-732.85 131\n-0001c320: 352e 3936 2c2d 3733 392e 3338 222f 3e0a 5.96,-739.38\"/>.\n-0001c330: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n-0001c340: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n-0001c350: 6d61 6e64 6c69 6e65 2623 3435 3b26 6774 mandline->\n-0001c360: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-0001c370: 6163 735f 6f6e 6c69 6e65 6865 6c70 202d acs_onlinehelp -\n-0001c380: 2d3e 0a3c 6720 6964 3d22 6564 6765 3138 ->.<g id=\"edge18\n-0001c390: 3622 2063 6c61 7373 3d22 6564 6765 223e 6\" class=\"edge\">\n-0001c3a0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001c3b0: 7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n-0001c3c0: 6e64 6c69 6e65 2623 3435 3b26 6774 3b6d ndline->m\n-0001c3d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001c3e0: 735f 6f6e 6c69 6e65 6865 6c70 3c2f 7469 s_onlinehelp</ti\n-0001c3f0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-0001c400: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-0001c410: 3238 3266 6363 2220 643d 224d 3133 3933 282fcc\" d=\"M1393\n-0001c420: 2e30 372c 2d37 3132 2e37 3343 3134 3434 .07,-712.73C1444\n-0001c430: 2e34 372c 2d37 3033 2e36 3120 3135 3334 .47,-703.61 1534\n-0001c440: 2e36 332c 2d36 3837 2e32 3720 3136 3131 .63,-687.27 1611\n-0001c450: 2e35 362c 2d36 3731 2e35 3720 3136 3135 .56,-671.57 1615\n-0001c460: 2e37 332c 2d36 3730 2e37 3220 3136 3230 .73,-670.72 1620\n-0001c470: 2e30 372c 2d36 3639 2e38 3120 3136 3234 .07,-669.81 1624\n-0001c480: 2e34 312c 2d36 3638 2e38 3722 2f3e 0a3c .41,-668.87\"/>.<\n-0001c490: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001c4a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001c4b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001c4c0: 3136 3235 2e34 312c 2d36 3732 2e32 3420 1625.41,-672.24 \n-0001c4d0: 3136 3334 2e34 342c 2d36 3636 2e36 3920 1634.44,-666.69 \n-0001c4e0: 3136 3233 2e39 322c 2d36 3635 2e34 2031 1623.92,-665.4 1\n-0001c4f0: 3632 352e 3431 2c2d 3637 322e 3234 222f 625.41,-672.24\"/\n-0001c500: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-0001c510: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n-0001c520: 6f6d 6d61 6e64 6c69 6e65 2623 3435 3b26 ommandline-&\n-0001c530: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-0001c540: 6f6d 6163 735f 6f70 7469 6f6e 7320 2d2d omacs_options --\n-0001c550: 3e0a 3c67 2069 643d 2265 6467 6531 3837 >.<g id=\"edge187\n-0001c560: 2220 636c 6173 733d 2265 6467 6522 3e0a \" class=\"edge\">.\n-0001c570: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 <title>module_sr\n-0001c580: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n-0001c590: 646c 696e 6526 2334 353b 2667 743b 6d6f dline->mo\n-0001c5a0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001c5b0: 5f6f 7074 696f 6e73 3c2f 7469 746c 653e _options\n-0001c5c0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-0001c6a0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n-0001ca80: 6720 6964 3d22 6564 6765 3139 3522 2063 g id=\"edge195\" c\n-0001ca90: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001cab0: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-0001cac0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001cad0: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random.....<\n-0001d030: 6720 6964 3d22 6564 6765 3139 3722 2063 g id=\"edge197\" c\n-0001d040: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-0001d060: 726f 6d61 6373 5f74 6f6f 6c73 2623 3435 romacs_tools-\n-0001d070: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001d080: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft....\n-0001d240: 0a3c 6720 6964 3d22 6564 6765 3139 3222 ..<\n-0001d260: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001d270: 5f67 726f 6d61 6373 5f74 6f6f 6c73 2623 _gromacs_tools&#\n-0001d280: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001d290: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c c_gromacs_mdrun<\n-0001d2a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......\n-0001d520: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n-0001d530: 635f 6772 6f6d 6163 735f 746f 6f6c 7326 c_gromacs_tools&\n-0001d540: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001d550: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-0001d560: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b....\n-0001d6e0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n-0001d750: 5f73 7263 5f67 726f 6d61 6373 5f74 6f6f _src_gromacs_too\n-0001d760: 6c73 2623 3435 3b26 6774 3b6d 6f64 756c ls->modul\n-0001d770: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n-0001d780: 7479 7065 733c 2f74 6974 6c65 3e0a 3c70 types...\n-0001d8a0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ..\n-0001d8f0: 3c67 2069 643d 2265 6467 6531 3931 2220 .module_src_\n-0001d920: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n-0001d930: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001d940: 5f67 726f 6d61 6373 5f67 6d78 7072 6570 _gromacs_gmxprep\n-0001d950: 726f 6365 7373 3c2f 7469 746c 653e 0a3c rocess.<\n-0001d960: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n-0001d970: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n-0001d980: 2220 643d 224d 3933 302e 3532 2c2d 3132 \" d=\"M930.52,-12\n-0001d990: 3134 2e37 3643 3935 332e 3938 2c2d 3132 14.76C953.98,-12\n-0001d9a0: 3035 2e31 3120 3939 332e 3339 2c2d 3131 05.11 993.39,-11\n-0001d9b0: 3838 2e39 2031 3032 322e 332c 2d31 3137 88.9 1022.3,-117\n-0001d9c0: 372e 3031 222f 3e0a 3c70 6f6c 7967 6f6e 7.01\"/>.....modul\n-0001dab0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0001dac0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-0001dad0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-0001dae0: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib......module_src_gr\n-0001dcd0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n-0001dce0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001dcf0: 726f 6d61 6373 5f66 696c 6569 6f3c 2f74 romacs_fileio..\n-0001de60: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modul\n-0001e150: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n-0001e160: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n-0001e170: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n-0001e180: 7761 6c64 3c2f 7469 746c 653e 0a3c 7061 wald..<\n-0001e300: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001e310: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-0001e320: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-0001e330: 3135 3930 2e30 362c 2d33 3031 2e32 3320 1590.06,-301.23 \n-0001e340: 3135 3936 2e31 312c 2d32 3932 2e35 3320 1596.11,-292.53 \n-0001e350: 3135 3835 2e39 362c 2d32 3935 2e35 3620 1585.96,-295.56 \n-0001e360: 3135 3930 2e30 362c 2d33 3031 2e32 3322 1590.06,-301.23\"\n-0001e370: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />...\n-0001e3c0: 3c67 2069 643d 2265 6467 6531 3934 2220 .module_src_\n-0001e3f0: 6772 6f6d 6163 735f 746f 6f6c 7326 2334 gromacs_tools\n-0001e400: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-0001e410: 5f67 726f 6d61 6373 5f74 7261 6a65 6374 _gromacs_traject\n-0001e420: 6f72 793c 2f74 6974 6c65 3e0a 3c70 6174 ory......module\n-0001e640: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-0001e650: 6c69 6564 5f66 6f72 6365 7326 2334 353b lied_forces-\n-0001e660: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001e670: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n-0001e680: 6974 793c 2f74 6974 6c65 3e0a 3c70 6174 ity...<\n-0001e810: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.\n-0001e860: 0a3c 6720 6964 3d22 6564 6765 3231 3022 ..<\n-0001e880: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001e890: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0001e8a0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-0001e8b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001e8c0: 6373 5f72 616e 646f 6d3c 2f74 6974 6c65 cs_random......mo\n-0001ea60: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001ea70: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001ea80: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001ea90: 7263 5f67 726f 6d61 6373 5f6d 6473 7061 rc_gromacs_mdspa\n-0001eaa0: 6e3c 2f74 6974 6c65 3e0a 3c70 6174 6820 n.\n-0001eb50: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-0001ebc0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-0001ec40: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-0001ec50: 7263 6573 2623 3435 3b26 6774 3b6d 6f64 rces->mod\n-0001ec60: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001ec70: 6f70 7469 6f6e 733c 2f74 6974 6c65 3e0a options.\n-0001ec80: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .<\n-0001ed00: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n-0001ed10: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n-0001ed20: 636b 2220 706f 696e 7473 3d22 3132 3336 ck\" points=\"1236\n-0001ed30: 2e37 332c 2d33 3032 2e32 3820 3132 3432 .73,-302.28 1242\n-0001ed40: 2e33 352c 2d32 3933 2e33 2031 3233 322e .35,-293.3 1232.\n-0001ed50: 3335 2c2d 3239 362e 3832 2031 3233 362e 35,-296.82 1236.\n-0001ed60: 3733 2c2d 3330 322e 3238 222f 3e0a 3c2f 73,-302.28\"/>...\n-0001edc0: 3c67 2069 643d 2265 6467 6532 3038 2220 .module_src_\n-0001edf0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0001ee00: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-0001ee10: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001ee20: 735f 676d 786c 6962 3c2f 7469 746c 653e s_gmxlib\n-0001ee30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n-0001eff0: 0a3c 6720 6964 3d22 6564 6765 3230 3322 ..<\n-0001f010: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-0001f020: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0001f030: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-0001f040: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001f050: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes.....\n-0001f2a0: 3c67 2069 643d 2265 6467 6532 3131 2220 .module_src_\n-0001f2d0: 6772 6f6d 6163 735f 6170 706c 6965 645f gromacs_applied_\n-0001f2e0: 666f 7263 6573 2623 3435 3b26 6774 3b6d forces->m\n-0001f2f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001f300: 735f 676d 7870 7265 7072 6f63 6573 733c s_gmxpreprocess<\n-0001f310: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>..<\n-0001f460: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-0001f470: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-0001f480: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-0001f490: 3131 3237 2e30 392c 2d31 3135 362e 3620 1127.09,-1156.6 \n-0001f4a0: 3131 3137 2e31 322c 2d31 3136 302e 3138 1117.12,-1160.18\n-0001f4b0: 2031 3132 372e 3135 2c2d 3131 3633 2e35 1127.15,-1163.5\n-0001f4c0: 3920 3131 3237 2e30 392c 2d31 3135 362e 9 1127.09,-1156.\n-0001f4d0: 3622 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6\"/>....modul\n-0001f550: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001f560: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001f570: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001f580: 6772 6f6d 6163 735f 6d64 6c69 623c 2f74 gromacs_mdlib</t\n-0001f590: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001f5a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001f5b0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n-0001f5c0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n-0001f5d0: 643d 224d 3131 3832 2e33 322c 2d33 3330 d=\"M1182.32,-330\n-0001f5e0: 2e30 3943 3131 3835 2e34 312c 2d33 3132 .09C1185.41,-312\n-0001f5f0: 2e39 3620 3131 3933 2e35 2c2d 3238 322e .96 1193.5,-282.\n-0001f600: 3835 2031 3231 332e 3536 2c2d 3236 372e 85 1213.56,-267.\n-0001f610: 3438 2031 3235 372e 3235 2c2d 3233 342e 48 1257.25,-234.\n-0001f620: 3031 2031 3432 312e 3132 2c2d 3232 332e 01 1421.12,-223.\n-0001f630: 3432 2031 3439 362e 3336 2c2d 3232 302e 42 1496.36,-220.\n-0001f640: 3238 222f 3e0a 3c70 6f6c 7967 6f6e 2066 28\"/>.<polygon f\n-0001f650: 696c 6c3d 2223 3238 3266 6363 2220 7374 ill=\"#282fcc\" st\n-0001f660: 726f 6b65 3d22 2332 3832 6663 6322 2070 roke=\"#282fcc\" p\n-0001f670: 6f69 6e74 733d 2231 3439 362e 3531 2c2d oints=\"1496.51,-\n-0001f680: 3232 332e 3737 2031 3530 362e 3337 2c2d 223.77 1506.37,-\n-0001f690: 3231 392e 3838 2031 3439 362e 3234 2c2d 219.88 1496.24,-\n-0001f6a0: 3231 362e 3738 2031 3439 362e 3531 2c2d 216.78 1496.51,-\n-0001f6b0: 3232 332e 3737 222f 3e0a 3c2f 673e 0a3c 223.77\"/>.</g>.<\n-0001f6c0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-0001f6d0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-0001f6e0: 6f72 6365 7326 2334 353b 2667 743b 6d6f orces->mo\n-0001f6f0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001f700: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n-0001f710: 643d 2265 6467 6532 3032 2220 636c 6173 d=\"edge202\" clas\n-0001f720: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n-0001f730: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n-0001f740: 6163 735f 6170 706c 6965 645f 666f 7263 acs_applied_forc\n-0001f750: 6573 2623 3435 3b26 6774 3b6d 6f64 756c es->modul\n-0001f760: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-0001f770: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio...modul\n+0001a870: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001a880: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+0001a890: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001a8a0: 6c69 7374 6564 5f66 6f72 6365 733c 2f74 listed_forces</t\n+0001a8b0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001a8c0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001a8d0: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001a8e0: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001a8f0: 643d 224d 3136 3237 2e37 392c 2d31 3536 d=\"M1627.79,-156\n+0001a900: 2e37 3843 3137 3532 2e32 332c 2d31 3539 .78C1752.23,-159\n+0001a910: 2e32 3720 3231 3536 2e30 362c 2d31 3730 .27 2156.06,-170\n+0001a920: 2e31 3920 3232 3031 2e35 362c 2d32 3034 .19 2201.56,-204\n+0001a930: 2e36 3120 3232 3330 2e30 342c 2d32 3236 .61 2230.04,-226\n+0001a940: 2e31 3520 3232 3239 2e35 362c 2d32 3434 .15 2229.56,-244\n+0001a950: 2e32 3120 3232 3239 2e35 362c 2d32 3739 .21 2229.56,-279\n+0001a960: 2e39 3220 3232 3239 2e35 362c 2d34 3037 .92 2229.56,-407\n+0001a970: 2e36 3620 3232 3239 2e35 362c 2d34 3037 .66 2229.56,-407\n+0001a980: 2e36 3620 3232 3239 2e35 362c 2d34 3037 .66 2229.56,-407\n+0001a990: 2e36 3620 3232 3239 2e35 362c 2d35 3033 .66 2229.56,-503\n+0001a9a0: 2e34 3620 3233 3034 2e39 342c 2d35 3031 .46 2304.94,-501\n+0001a9b0: 2e31 3220 3233 3536 2e35 362c 2d35 3831 .12 2356.56,-581\n+0001a9c0: 2e38 3320 3233 3733 2e37 392c 2d36 3038 .83 2373.79,-608\n+0001a9d0: 2e37 3720 3233 3830 2e34 322c 2d36 3134 .77 2380.42,-614\n+0001a9e0: 2e37 3220 3233 3931 2e35 362c 2d36 3434 .72 2391.56,-644\n+0001a9f0: 2e37 2032 3431 332e 3134 2c2d 3730 322e .7 2413.14,-702.\n+0001aa00: 3735 2032 3430 392e 3536 2c2d 3732 302e 75 2409.56,-720.\n+0001aa10: 3935 2032 3430 392e 3536 2c2d 3738 322e 95 2409.56,-782.\n+0001aa20: 3838 2032 3430 392e 3536 2c2d 3834 372e 88 2409.56,-847.\n+0001aa30: 3735 2032 3430 392e 3536 2c2d 3834 372e 75 2409.56,-847.\n+0001aa40: 3735 2032 3430 392e 3536 2c2d 3834 372e 75 2409.56,-847.\n+0001aa50: 3735 2032 3430 392e 3536 2c2d 3931 312e 75 2409.56,-911.\n+0001aa60: 3231 2032 3432 312e 3434 2c2d 3934 342e 21 2421.44,-944.\n+0001aa70: 3237 2032 3337 332e 3536 2c2d 3938 352e 27 2373.56,-985.\n+0001aa80: 3932 2032 3330 352e 3239 2c2d 3130 3435 92 2305.29,-1045\n+0001aa90: 2e33 3120 3136 3638 2e31 322c 2d31 3038 .31 1668.12,-108\n+0001aaa0: 332e 3838 2031 3436 382e 322c 2d31 3039 3.88 1468.2,-109\n+0001aab0: 342e 3335 222f 3e0a 3c70 6f6c 7967 6f6e 4.35\"/>.<polygon\n+0001aac0: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n+0001aad0: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n+0001aae0: 2070 6f69 6e74 733d 2231 3436 372e 3938 points=\"1467.98\n+0001aaf0: 2c2d 3130 3930 2e38 3620 3134 3538 2e31 ,-1090.86 1458.1\n+0001ab00: 372c 2d31 3039 342e 3837 2031 3436 382e 7,-1094.87 1468.\n+0001ab10: 3334 2c2d 3130 3937 2e38 3520 3134 3637 34,-1097.85 1467\n+0001ab20: 2e39 382c 2d31 3039 302e 3836 222f 3e0a .98,-1090.86\"/>.\n+0001ab30: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001ab40: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001ab50: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+0001ab60: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6e le_src_gromacs_n\n+0001ab70: 626e 786d 202d 2d3e 0a3c 6720 6964 3d22 bnxm -->.<g id=\"\n+0001ab80: 6564 6765 3136 3822 2063 6c61 7373 3d22 edge168\" class=\"\n+0001ab90: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001aba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001abb0: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+0001abc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001abd0: 6373 5f6e 626e 786d 3c2f 7469 746c 653e cs_nbnxm\n+0001abe0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0001ad80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n+0001ae40: 3c67 2069 643d 2265 6467 6531 3731 2220 .module_src_\n+0001ae70: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+0001ae80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001ae90: 635f 6772 6f6d 6163 735f 6d64 7275 6e3c c_gromacs_mdrun<\n+0001aea0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......module_\n+0001b040: 7372 635f 6772 6f6d 6163 735f 646f 6d64 src_gromacs_domd\n+0001b050: 6563 2623 3435 3b26 6774 3b6d 6f64 756c ec->modul\n+0001b060: 655f 7372 635f 6772 6f6d 6163 735f 696d e_src_gromacs_im\n+0001b070: 643c 2f74 6974 6c65 3e0a 3c70 6174 6820 d...\n+0001b170: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...modul\n+0001b1e0: 655f 7372 635f 6772 6f6d 6163 735f 646f e_src_gromacs_do\n+0001b1f0: 6d64 6563 2623 3435 3b26 6774 3b6d 6f64 mdec->mod\n+0001b200: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001b210: 676d 786c 6962 3c2f 7469 746c 653e 0a3c gmxlib.<\n+0001b220: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+0001b230: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001b240: 2220 643d 224d 3135 3535 2e34 332c 2d31 \" d=\"M1555.43,-1\n+0001b250: 3536 2e34 3943 3133 3839 2e34 322c 2d31 56.49C1389.42,-1\n+0001b260: 3538 2e31 3120 3730 342e 3037 2c2d 3136 58.11 704.07,-16\n+0001b270: 372e 3036 2036 3136 2e35 362c 2d32 3034 7.06 616.56,-204\n+0001b280: 2e36 3120 3534 372e 3739 2c2d 3233 342e .61 547.79,-234.\n+0001b290: 3132 2035 3237 2e38 312c 2d32 3539 2e32 12 527.81,-259.2\n+0001b2a0: 3120 3530 342e 3536 2c2d 3333 302e 3335 1 504.56,-330.35\n+0001b2b0: 2034 3635 2e37 322c 2d34 3439 2e32 3120 465.72,-449.21 \n+0001b2c0: 3435 382e 3634 2c2d 3531 382e 3831 2035 458.64,-518.81 5\n+0001b2d0: 3435 2e35 362c 2d36 3038 2e37 2035 3532 45.56,-608.7 552\n+0001b2e0: 2e37 312c 2d36 3136 2e31 2036 3833 2e39 .71,-616.1 683.9\n+0001b2f0: 392c 2d36 3339 2e31 3620 3735 312e 3336 9,-639.16 751.36\n+0001b300: 2c2d 3635 302e 3539 222f 3e0a 3c70 6f6c ,-650.59\"/>.....\n+0001b3e0: 3c74 6974 6c65 3e6d 6f64 756c 655f 7372 module_sr\n+0001b3f0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+0001b400: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001b410: 7372 635f 6772 6f6d 6163 735f 636f 6d70 src_gromacs_comp\n+0001b420: 6174 3c2f 7469 746c 653e 0a3c 7061 7468 at...<\n+0001b500: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...m\n+0001b570: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001b580: 735f 646f 6d64 6563 2623 3435 3b26 6774 s_domdec->\n+0001b590: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001b5a0: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+0001b5b0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001b5c0: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+0001b5d0: 6662 6662 6622 2064 3d22 4d31 3535 352e fbfbf\" d=\"M1555.\n+0001b5e0: 332c 2d31 3536 2e30 3843 3133 3833 2e37 3,-156.08C1383.7\n+0001b5f0: 372c 2d31 3535 2e38 3820 3635 392e 352c 7,-155.88 659.5,\n+0001b600: 2d31 3537 2e39 3920 3537 302e 3536 2c2d -157.99 570.56,-\n+0001b610: 3230 342e 3631 2035 3339 2e34 322c 2d32 204.61 539.42,-2\n+0001b620: 3230 2e39 3320 3533 392e 3239 2c2d 3233 20.93 539.29,-23\n+0001b630: 362e 3536 2035 3232 2e35 362c 2d32 3637 6.56 522.56,-267\n+0001b640: 2e34 3820 3434 372e 3936 2c2d 3430 352e .48 447.96,-405.\n+0001b650: 3331 2034 3236 2e31 312c 2d34 3532 2e31 31 426.11,-452.1\n+0001b660: 3520 3433 332e 3536 2c2d 3630 382e 3720 5 433.56,-608.7 \n+0001b670: 3433 362e 3233 2c2d 3636 342e 3738 2034 436.23,-664.78 4\n+0001b680: 3237 2e33 322c 2d36 3831 2e33 3520 3434 27.32,-681.35 44\n+0001b690: 352e 3536 2c2d 3733 342e 3434 2034 3536 5.56,-734.44 456\n+0001b6a0: 2e33 322c 2d37 3635 2e37 3620 3435 372e .32,-765.76 457.\n+0001b6b0: 3238 2c2d 3738 302e 3037 2034 3835 2e35 28,-780.07 485.5\n+0001b6c0: 362c 2d37 3937 2e33 3120 3532 352e 3939 6,-797.31 525.99\n+0001b6d0: 2c2d 3832 312e 3935 2038 3339 2e38 372c ,-821.95 839.87,\n+0001b6e0: 2d38 3338 2e30 3620 3936 312e 3633 2c2d -838.06 961.63,-\n+0001b6f0: 3834 332e 3622 2f3e 0a3c 706f 6c79 676f 843.6\"/>.<polygo\n+0001b700: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+0001b710: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+0001b720: 2220 706f 696e 7473 3d22 3936 312e 3633 \" points=\"961.63\n+0001b730: 2c2d 3834 372e 3120 3937 312e 3738 2c2d ,-847.1 971.78,-\n+0001b740: 3834 342e 3036 2039 3631 2e39 352c 2d38 844.06 961.95,-8\n+0001b750: 3430 2e31 3120 3936 312e 3633 2c2d 3834 40.11 961.63,-84\n+0001b760: 372e 3122 2f3e 0a3c 2f67 3e0a 3c21 2d2d 7.1\"/>.</g>.<!--\n+0001b770: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+0001b780: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+0001b790: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001b7a0: 6f6d 6163 735f 6d64 6c69 6220 2d2d 3e0a omacs_mdlib -->.\n+0001b7b0: 3c67 2069 643d 2265 6467 6531 3636 2220 <g id=\"edge166\" \n+0001b7c0: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n+0001b7d0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n+0001b7e0: 6772 6f6d 6163 735f 646f 6d64 6563 2623 gromacs_domdec&#\n+0001b7f0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001b800: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n+0001b810: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001b820: 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3833 2032 220.56,-581.83 2\n+0001b910: 3232 312e 3631 2c2d 3539 332e 3733 2032 221.61,-593.73 2\n+0001b920: 3232 332e 3034 2c2d 3539 372e 3032 2032 223.04,-597.02 2\n+0001b930: 3232 302e 3536 2c2d 3630 382e 3720 3232 220.56,-608.7 22\n+0001b940: 3035 2e33 362c 2d36 3830 2e32 2032 3138 05.36,-680.2 218\n+0001b950: 322e 322c 2d37 3036 2e37 3520 3231 3134 2.2,-706.75 2114\n+0001b960: 2e35 362c 2d37 3334 2e34 3420 3230 3331 .56,-734.44 2031\n+0001b970: 2e38 332c 2d37 3638 2e33 3120 3137 3536 .83,-768.31 1756\n+0001b980: 2e38 312c 2d37 3739 2e31 3920 3136 3534 .81,-779.19 1654\n+0001b990: 2e38 362c 2d37 3832 2e30 3222 2f3e 0a3c .86,-782.02\"/>.<\n+0001b9a0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+0001b9b0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+0001b9c0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+0001b9d0: 3136 3534 2e36 312c 2d37 3738 2e35 3220 1654.61,-778.52 \n+0001b9e0: 3136 3434 2e37 2c2d 3738 322e 3239 2031 1644.7,-782.29 1\n+0001b9f0: 3635 342e 3739 2c2d 3738 352e 3532 2031 654.79,-785.52 1\n+0001ba00: 3635 342e 3631 2c2d 3737 382e 3532 222f 654.61,-778.52\"/\n+0001ba10: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001ba20: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0001ba30: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+0001ba40: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001ba50: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n+0001ba60: 643d 2265 6467 6531 3631 2220 636c 6173 d=\"edge161\" clas\n+0001ba70: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001ba80: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001ba90: 6163 735f 646f 6d64 6563 2623 3435 3b26 acs_domdec-&\n+0001baa0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001bab0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+0001bac0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001bad0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001bae0: 6266 6266 6266 2220 643d 224d 3136 3034 bfbfbf\" d=\"M1604\n+0001baf0: 2e37 312c 2d31 3638 2e30 3343 3136 3135 .71,-168.03C1615\n+0001bb00: 2e34 392c 2d31 3737 2e37 3820 3136 3331 .49,-177.78 1631\n+0001bb10: 2e31 2c2d 3139 3220 3136 3434 2e35 362c .1,-192 1644.56,\n+0001bb20: 2d32 3034 2e36 3120 3137 3033 2e34 362c -204.61 1703.46,\n+0001bb30: 2d32 3539 2e37 3820 3137 3234 2e34 312c -259.78 1724.41,\n+0001bb40: 2d32 3637 2e39 3320 3137 3735 2e35 362c -267.93 1775.56,\n+0001bb50: 2d33 3330 2e33 3520 3138 3235 2e31 352c -330.35 1825.15,\n+0001bb60: 2d33 3930 2e38 3720 3138 3731 2e33 322c -390.87 1871.32,\n+0001bb70: 2d34 3731 2e36 3820 3138 3932 2e30 362c -471.68 1892.06,\n+0001bb80: 2d35 3039 2e37 3822 2f3e 0a3c 706f 6c79 -509.78\"/>.<poly\n+0001bb90: 676f 6e20 6669 6c6c 3d22 2362 6662 6662 gon fill=\"#bfbfb\n+0001bba0: 6622 2073 7472 6f6b 653d 2223 6266 6266 f\" stroke=\"#bfbf\n+0001bbb0: 6266 2220 706f 696e 7473 3d22 3138 3839 bf\" points=\"1889\n+0001bbc0: 2e31 372c 2d35 3131 2e37 3920 3138 3937 .17,-511.79 1897\n+0001bbd0: 2c2d 3531 382e 3933 2031 3839 352e 3333 ,-518.93 1895.33\n+0001bbe0: 2c2d 3530 382e 3437 2031 3838 392e 3137 ,-508.47 1889.17\n+0001bbf0: 2c2d 3531 312e 3739 222f 3e0a 3c2f 673e ,-511.79\"/>.</g>\n+0001bc00: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+0001bc10: 5f67 726f 6d61 6373 5f64 6f6d 6465 6326 _gromacs_domdec&\n+0001bc20: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001bc30: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001bc40: 7469 6c73 202d 2d3e 0a3c 6720 6964 3d22 tils -->.<g id=\"\n+0001bc50: 6564 6765 3136 3922 2063 6c61 7373 3d22 edge169\" class=\"\n+0001bc60: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001bc70: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001bc80: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+0001bc90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001bca0: 6373 5f67 7075 5f75 7469 6c73 3c2f 7469 cs_gpu_utils</ti\n+0001bcb0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001bcc0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001bcd0: 6266 6266 6266 2220 643d 224d 3136 3234 bfbfbf\" d=\"M1624\n+0001bce0: 2e36 352c 2d31 3630 2e36 3643 3136 3938 .65,-160.66C1698\n+0001bcf0: 2e34 392c 2d31 3731 2e35 3320 3138 3831 .49,-171.53 1881\n+0001bd00: 2e31 342c 2d32 3033 2e32 3420 3230 3230 .14,-203.24 2020\n+0001bd10: 2e35 362c 2d32 3637 2e34 3820 3230 3634 .56,-267.48 2064\n+0001bd20: 2e38 372c 2d32 3837 2e39 2032 3038 322e .87,-287.9 2082.\n+0001bd30: 3036 2c2d 3239 302e 3735 2032 3131 302e 06,-290.75 2110.\n+0001bd40: 3536 2c2d 3333 302e 3335 2032 3137 302e 56,-330.35 2170.\n+0001bd50: 3631 2c2d 3431 332e 3737 2032 3131 352e 61,-413.77 2115.\n+0001bd60: 3639 2c2d 3437 392e 3932 2032 3139 342e 69,-479.92 2194.\n+0001bd70: 3536 2c2d 3534 352e 3833 2032 3232 372e 56,-545.83 2227.\n+0001bd80: 3933 2c2d 3537 332e 3732 2032 3236 312e 93,-573.72 2261.\n+0001bd90: 3131 2c2d 3534 352e 3836 2032 3238 352e 11,-545.86 2285.\n+0001bda0: 3536 2c2d 3538 312e 3833 2032 3239 332e 56,-581.83 2293.\n+0001bdb0: 3634 2c2d 3539 332e 3732 2032 3239 322e 64,-593.72 2292.\n+0001bdc0: 3139 2c2d 3732 322e 3438 2032 3238 342e 19,-722.48 2284.\n+0001bdd0: 3536 2c2d 3733 342e 3434 2032 3137 392e 56,-734.44 2179.\n+0001bde0: 3035 2c2d 3839 392e 3733 2031 3530 392e 05,-899.73 1509.\n+0001bdf0: 3135 2c2d 3930 392e 3634 2031 3331 392e 15,-909.64 1319.\n+0001be00: 3532 2c2d 3930 392e 3039 222f 3e0a 3c70 52,-909.09\"/>.<p\n+0001be10: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n+0001be20: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n+0001be30: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n+0001be40: 3331 392e 332c 2d39 3035 2e35 3920 3133 319.3,-905.59 13\n+0001be50: 3039 2e32 392c 2d39 3039 2e30 3520 3133 09.29,-909.05 13\n+0001be60: 3139 2e32 372c 2d39 3132 2e35 3920 3133 19.27,-912.59 13\n+0001be70: 3139 2e33 2c2d 3930 352e 3539 222f 3e0a 19.3,-905.59\"/>.\n+0001be80: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 </g>.<!-- module\n+0001be90: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001bea0: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+0001beb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+0001bec0: 7761 6c64 202d 2d3e 0a3c 6720 6964 3d22 wald -->.<g id=\"\n+0001bed0: 6564 6765 3136 3422 2063 6c61 7373 3d22 edge164\" class=\"\n+0001bee0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001bef0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001bf00: 5f64 6f6d 6465 6326 2334 353b 2667 743b _domdec->\n+0001bf10: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001bf20: 6373 5f65 7761 6c64 3c2f 7469 746c 653e cs_ewald\n+0001bf30: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modu\n+0001c0a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n+0001c0b0: 6f6d 6465 6326 2334 353b 2667 743b 6d6f omdec->mo\n+0001c0c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c0d0: 5f6d 6472 756e 7574 696c 6974 793c 2f74 _mdrunutility</t\n+0001c0e0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001c0f0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001c100: 2332 3832 6663 6322 2073 7472 6f6b 652d #282fcc\" stroke-\n+0001c110: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001c120: 643d 224d 3135 3536 2e32 2c2d 3135 382e d=\"M1556.2,-158.\n+0001c130: 3232 4331 3435 332e 3138 2c2d 3136 352e 22C1453.18,-165.\n+0001c140: 3034 2031 3135 372e 3433 2c2d 3139 312e 04 1157.43,-191.\n+0001c150: 3120 3131 3038 2e35 362c 2d32 3637 2e34 1 1108.56,-267.4\n+0001c160: 3820 3130 3732 2e38 392c 2d33 3233 2e32 8 1072.89,-323.2\n+0001c170: 3420 3130 3838 2e34 312c 2d34 3036 2e36 4 1088.41,-406.6\n+0001c180: 3920 3130 3938 2e38 362c 2d34 3436 2e32 9 1098.86,-446.2\n+0001c190: 3322 2f3e 0a3c 706f 6c79 676f 6e20 6669 3\"/>.<polygon fi\n+0001c1a0: 6c6c 3d22 2332 3832 6663 6322 2073 7472 ll=\"#282fcc\" str\n+0001c1b0: 6f6b 653d 2223 3238 3266 6363 2220 706f oke=\"#282fcc\" po\n+0001c1c0: 696e 7473 3d22 3130 3935 2e35 312c 2d34 ints=\"1095.51,-4\n+0001c1d0: 3437 2e32 3420 3131 3031 2e35 372c 2d34 47.24 1101.57,-4\n+0001c1e0: 3535 2e39 3420 3131 3032 2e32 362c 2d34 55.94 1102.26,-4\n+0001c1f0: 3435 2e33 3720 3130 3935 2e35 312c 2d34 45.37 1095.51,-4\n+0001c200: 3437 2e32 3422 2f3e 0a3c 2f67 3e0a 3c21 47.24\"/>.</g>.<!\n+0001c210: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001c220: 6f6d 6163 735f 646f 6d64 6563 2623 3435 omacs_domdec-\n+0001c230: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001c240: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+0001c250: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+0001c260: 3137 3022 2063 6c61 7373 3d22 6564 6765 170\" class=\"edge\n+0001c270: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+0001c280: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+0001c290: 6465 6326 2334 353b 2667 743b 6d6f 6475 dec->modu\n+0001c2a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f68 le_src_gromacs_h\n+0001c2b0: 6172 6477 6172 653c 2f74 6974 6c65 3e0a ardware.\n+0001c2c0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n+0001c540: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001c550: 656e 6572 6779 616e 616c 7973 6973 3c2f energyanalysis</\n+0001c560: 7469 746c 653e 0a3c 6720 6964 3d22 615f title>.<g id=\"a_\n+0001c570: 6e6f 6465 3239 223e 3c61 2078 6c69 6e6b node29\"><a xlink\n+0001c580: 3a68 7265 663d 2267 726f 7570 5f5f 6d6f :href=\"group__mo\n+0001c590: 6475 6c65 5f5f 656e 6572 6779 616e 616c dule__energyanal\n+0001c5a0: 7973 6973 2e78 6874 6d6c 2220 7461 7267 ysis.xhtml\" targ\n+0001c5b0: 6574 3d22 5f74 6f70 2220 786c 696e 6b3a et=\"_top\" xlink:\n+0001c5c0: 7469 746c 653d 2265 6e65 7267 7961 6e61 title=\"energyana\n+0001c5d0: 6c79 7369 7322 3e0a 3c65 6c6c 6970 7365 lysis\">.<ellipse\n+0001c5e0: 2066 696c 6c3d 2223 6666 6363 6363 2220 fill=\"#ffcccc\" \n+0001c5f0: 7374 726f 6b65 3d22 626c 6163 6b22 2063 stroke=\"black\" c\n+0001c600: 783d 2231 3632 352e 3536 2220 6379 3d22 x=\"1625.56\" cy=\"\n+0001c610: 2d36 3538 2e31 3422 2072 783d 2235 362e -658.14\" rx=\"56.\n+0001c620: 3634 2220 7279 3d22 3133 2e33 3722 2f3e 64\" ry=\"13.37\"/>\n+0001c630: 0a3c 7465 7874 2074 6578 742d 616e 6368 .<text text-anch\n+0001c640: 6f72 3d22 6d69 6464 6c65 2220 783d 2231 or=\"middle\" x=\"1\n+0001c650: 3632 352e 3536 2220 793d 222d 3635 352e 625.56\" y=\"-655.\n+0001c660: 3634 2220 666f 6e74 2d66 616d 696c 793d 64\" font-family=\n+0001c670: 2246 7265 6553 616e 7322 2066 6f6e 742d \"FreeSans\" font-\n+0001c680: 7369 7a65 3d22 3130 2e30 3022 3e65 6e65 size=\"10.00\">ene\n+0001c690: 7267 7961 6e61 6c79 7369 733c 2f74 6578 rgyanalysis</tex\n+0001c6a0: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n+0001c6b0: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001c6c0: 635f 6772 6f6d 6163 735f 656e 6572 6779 c_gromacs_energy\n+0001c6d0: 616e 616c 7973 6973 2623 3435 3b26 6774 analysis->\n+0001c6e0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+0001c6f0: 6163 735f 676d 7861 6e61 202d 2d3e 0a3c acs_gmxana -->.<\n+0001c700: 6720 6964 3d22 6564 6765 3137 3722 2063 g id=\"edge177\" c\n+0001c710: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001c720: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001c730: 726f 6d61 6373 5f65 6e65 7267 7961 6e61 romacs_energyana\n+0001c740: 6c79 7369 7326 2334 353b 2667 743b 6d6f lysis->mo\n+0001c750: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001c760: 5f67 6d78 616e 613c 2f74 6974 6c65 3e0a _gmxana.\n+0001c770: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+0001c850: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n+0001c940: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001c950: 6373 5f65 6e65 7267 7961 6e61 6c79 7369 cs_energyanalysi\n+0001c960: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001c970: 5f73 7263 5f67 726f 6d61 6373 5f73 7461 _src_gromacs_sta\n+0001c980: 7469 7374 6963 733c 2f74 6974 6c65 3e0a tistics.\n+0001c990: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 \n+0001ca10: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....modul\n+0001cb00: 655f 7372 635f 6772 6f6d 6163 735f 656e e_src_gromacs_en\n+0001cb10: 6572 6779 616e 616c 7973 6973 2623 3435 ergyanalysis-\n+0001cb20: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001cb30: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n+0001cb40: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+0001cb50: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+0001cb60: 2223 6266 6266 6266 2220 643d 224d 3136 \"#bfbfbf\" d=\"M16\n+0001cb70: 3134 2e36 382c 2d36 3434 2e38 3243 3136 14.68,-644.82C16\n+0001cb80: 3031 2e37 372c 2d36 3238 2e36 3720 3135 01.77,-628.67 15\n+0001cb90: 3833 2e38 352c 2d36 3030 2e32 3420 3135 83.85,-600.24 15\n+0001cba0: 3939 2e35 362c 2d35 3831 2e38 3320 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7263 5f67 726f 6d61 6373 5f63 6f6d 6d61 rc_gromacs_comma\n+0001cca0: 6e64 6c69 6e65 202d 2d3e 0a3c 6720 6964 ndline -->.<g id\n+0001ccb0: 3d22 6564 6765 3137 3422 2063 6c61 7373 =\"edge174\" class\n+0001ccc0: 3d22 6564 6765 223e 0a3c 7469 746c 653e =\"edge\">.<title>\n+0001ccd0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001cce0: 6373 5f65 6e65 7267 7961 6e61 6c79 7369 cs_energyanalysi\n+0001ccf0: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n+0001cd00: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+0001cd10: 6d61 6e64 6c69 6e65 3c2f 7469 746c 653e mandline\n+0001cd20: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......mo\n+0001ce80: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001ce90: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001cea0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001ceb0: 735f 6c69 7374 6564 5f66 6f72 6365 733c s_listed_forces<\n+0001cec0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path 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352c 2d31 3132 312e 3334 2031 3430 4.5,-1121.34 140\n+0001cfc0: 392e 3731 2c2d 3131 3131 2e38 3920 3134 9.71,-1111.89 14\n+0001cfd0: 3037 2e35 362c 2d31 3132 322e 3236 2031 07.56,-1122.26 1\n+0001cfe0: 3431 342e 352c 2d31 3132 312e 3334 222f 414.5,-1121.34\"/\n+0001cff0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+0001d000: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n+0001d010: 6f6f 6c73 2623 3435 3b26 6774 3b6d 6f64 ools->mod\n+0001d020: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d030: 6666 7420 2d2d 3e0a 3c67 2069 643d 2265 fft -->.<g id=\"e\n+0001d040: 6467 6531 3836 2220 636c 6173 733d 2265 dge186\" class=\"e\n+0001d050: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+0001d060: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d070: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+0001d080: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d090: 5f66 6674 3c2f 7469 746c 653e 0a3c 7061 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/>.<polygon fill\n+0001d640: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+0001d650: 653d 2223 6266 6266 6266 2220 706f 696e e=\"#bfbfbf\" poin\n+0001d660: 7473 3d22 3735 372e 3234 2c2d 3637 332e ts=\"757.24,-673.\n+0001d670: 3231 2037 3635 2e34 372c 2d36 3636 2e35 21 765.47,-666.5\n+0001d680: 3420 3735 342e 3838 2c2d 3636 362e 3632 4 754.88,-666.62\n+0001d690: 2037 3537 2e32 342c 2d36 3733 2e32 3122 757.24,-673.21\"\n+0001d6a0: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+0001d6b0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001d6c0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+0001d6d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d6e0: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->.<g \n+0001d6f0: 6964 3d22 6564 6765 3138 3222 2063 6c61 id=\"edge182\" cla\n+0001d700: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+0001d710: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+0001d720: 6d61 6373 5f74 6f6f 6c73 2623 3435 3b26 macs_tools-&\n+0001d730: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001d740: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes</t\n+0001d750: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001d760: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001d770: 2362 6662 6662 6622 2064 3d22 4d31 3538 #bfbfbf\" d=\"M158\n+0001d780: 322e 3331 2c2d 3132 3833 2e34 4331 3439 2.31,-1283.4C149\n+0001d790: 372e 3431 2c2d 3132 3734 2e34 3220 3132 7.41,-1274.42 12\n+0001d7a0: 3235 2e34 342c 2d31 3233 362e 3837 2031 25.44,-1236.87 1\n+0001d7b0: 3034 362e 3536 2c2d 3131 3131 2e36 3620 046.56,-1111.66 \n+0001d7c0: 3938 362e 3538 2c2d 3130 3639 2e36 3820 986.58,-1069.68 \n+0001d7d0: 3938 322e 3233 2c2d 3130 3332 2e32 3220 982.23,-1032.22 \n+0001d7e0: 3938 342e 3536 2c2d 3935 392e 3035 2039 984.56,-959.05 9\n+0001d7f0: 3835 2e34 352c 2d39 3331 2e30 3720 3938 85.45,-931.07 98\n+0001d800: 322c 2d39 3233 2e34 2039 3838 2e35 362c 2,-923.4 988.56,\n+0001d810: 2d38 3936 2e31 3820 3939 302e 3736 2c2d -896.18 990.76,-\n+0001d820: 3838 372e 3036 2039 3934 2e35 352c 2d38 887.06 994.55,-8\n+0001d830: 3737 2e34 3920 3939 382e 3332 2c2d 3836 77.49 998.32,-86\n+0001d840: 392e 3238 222f 3e0a 3c70 6f6c 7967 6f6e 9.28\"/>.<polygon\n+0001d850: 2066 696c 6c3d 2223 6266 6266 6266 2220 fill=\"#bfbfbf\" \n+0001d860: 7374 726f 6b65 3d22 2362 6662 6662 6622 stroke=\"#bfbfbf\"\n+0001d870: 2070 6f69 6e74 733d 2231 3030 312e 3537 points=\"1001.57\n+0001d880: 2c2d 3837 302e 3620 3130 3032 2e37 392c ,-870.6 1002.79,\n+0001d890: 2d38 3630 2e30 3820 3939 352e 3238 2c2d -860.08 995.28,-\n+0001d8a0: 3836 372e 3534 2031 3030 312e 3537 2c2d 867.54 1001.57,-\n+0001d8b0: 3837 302e 3622 2f3e 0a3c 2f67 3e0a 3c21 870.6\"/>.</g>.<!\n+0001d8c0: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001d8d0: 6f6d 6163 735f 746f 6f6c 7326 2334 353b omacs_tools-\n+0001d8e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+0001d8f0: 726f 6d61 6373 5f67 6d78 7072 6570 726f romacs_gmxprepro\n+0001d900: 6365 7373 202d 2d3e 0a3c 6720 6964 3d22 cess -->.<g id=\"\n+0001d910: 6564 6765 3138 3022 2063 6c61 7373 3d22 edge180\" class=\"\n+0001d920: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001d930: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001d940: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001d950: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001d960: 735f 676d 7870 7265 7072 6f63 6573 733c s_gmxpreprocess<\n+0001d970: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001d980: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001d990: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+0001d9a0: 3539 342e 3632 2c2d 3132 3735 2e32 3343 594.62,-1275.23C\n+0001d9b0: 3135 3833 2e30 362c 2d31 3236 362e 3433 1583.06,-1266.43\n+0001d9c0: 2031 3536 362e 3334 2c2d 3132 3533 2e37 1566.34,-1253.7\n+0001d9d0: 3120 3135 3532 2e36 322c 2d31 3234 332e 1 1552.62,-1243.\n+0001d9e0: 3237 222f 3e0a 3c70 6f6c 7967 6f6e 2066 27\"/>.<polygon f\n+0001d9f0: 696c 6c3d 2223 6266 6266 6266 2220 7374 ill=\"#bfbfbf\" st\n+0001da00: 726f 6b65 3d22 2362 6662 6662 6622 2070 roke=\"#bfbfbf\" p\n+0001da10: 6f69 6e74 733d 2231 3535 342e 3631 2c2d oints=\"1554.61,-\n+0001da20: 3132 3430 2e33 3920 3135 3434 2e35 332c 1240.39 1544.53,\n+0001da30: 2d31 3233 372e 3132 2031 3535 302e 3337 -1237.12 1550.37\n+0001da40: 2c2d 3132 3435 2e39 3620 3135 3534 2e36 ,-1245.96 1554.6\n+0001da50: 312c 2d31 3234 302e 3339 222f 3e0a 3c2f 1,-1240.39\"/>.</\n+0001da60: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+0001da70: 7263 5f67 726f 6d61 6373 5f74 6f6f 6c73 rc_gromacs_tools\n+0001da80: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001da90: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n+0001daa0: 6220 2d2d 3e0a 3c67 2069 643d 2265 6467 b -->.<g id=\"edg\n+0001dab0: 6531 3837 2220 636c 6173 733d 2265 6467 e187\" class=\"edg\n+0001dac0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+0001dad0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+0001dae0: 6f6c 7326 2334 353b 2667 743b 6d6f 6475 ols->modu\n+0001daf0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+0001db00: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib...<\n+0001dc20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n+0001dc90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001dca0: 746f 6f6c 7326 2334 353b 2667 743b 6d6f tools->mo\n+0001dcb0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001dcc0: 5f66 696c 6569 6f3c 2f74 6974 6c65 3e0a _fileio.\n+0001dcd0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....module_src_grom\n+0001dec0: 6163 735f 746f 6f6c 7326 2334 353b 2667 acs_tools-&g\n+0001ded0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001dee0: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n+0001def0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mo\n+0001e330: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e340: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001e350: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e360: 735f 6577 616c 643c 2f74 6974 6c65 3e0a s_ewald.\n+0001e370: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+0001e570: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...mo\n+0001e5e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e5f0: 5f74 6f6f 6c73 2623 3435 3b26 6774 3b6d _tools->m\n+0001e600: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001e610: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n+0001e620: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n+0001e7d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_\n+0001e850: 7372 635f 6772 6f6d 6163 735f 636f 6d6d src_gromacs_comm\n+0001e860: 616e 646c 696e 6526 2334 353b 2667 743b andline->\n+0001e870: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+0001e880: 6373 5f6f 6e6c 696e 6568 656c 703c 2f74 cs_onlinehelp</t\n+0001e890: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001e8a0: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001e8b0: 2332 3832 6663 6322 2064 3d22 4d37 3431 #282fcc\" d=\"M741\n+0001e8c0: 2e35 392c 2d35 3832 2e35 3343 3732 382e .59,-582.53C728.\n+0001e8d0: 3631 2c2d 3537 332e 3535 2037 3130 2e34 61,-573.55 710.4\n+0001e8e0: 392c 2d35 3631 2e30 3120 3639 352e 382c 9,-561.01 695.8,\n+0001e8f0: 2d35 3530 2e38 3622 2f3e 0a3c 706f 6c79 -550.86\"/>.<poly\n+0001e900: 676f 6e20 6669 6c6c 3d22 2332 3832 6663 gon fill=\"#282fc\n+0001e910: 6322 2073 7472 6f6b 653d 2223 3238 3266 c\" stroke=\"#282f\n+0001e920: 6363 2220 706f 696e 7473 3d22 3639 372e cc\" points=\"697.\n+0001e930: 3339 2c2d 3534 372e 3720 3638 372e 3138 39,-547.7 687.18\n+0001e940: 2c2d 3534 342e 3839 2036 3933 2e34 312c ,-544.89 693.41,\n+0001e950: 2d35 3533 2e34 3620 3639 372e 3339 2c2d -553.46 697.39,-\n+0001e960: 3534 372e 3722 2f3e 0a3c 2f67 3e0a 3c21 547.7\"/>.</g>.<!\n+0001e970: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+0001e980: 6f6d 6163 735f 636f 6d6d 616e 646c 696e omacs_commandlin\n+0001e990: 6526 2334 353b 2667 743b 6d6f 6475 6c65 e->module\n+0001e9a0: 5f73 7263 5f67 726f 6d61 6373 5f6f 7074 _src_gromacs_opt\n+0001e9b0: 696f 6e73 202d 2d3e 0a3c 6720 6964 3d22 ions -->.<g id=\"\n+0001e9c0: 6564 6765 3139 3122 2063 6c61 7373 3d22 edge191\" class=\"\n+0001e9d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n+0001e9e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001e9f0: 5f63 6f6d 6d61 6e64 6c69 6e65 2623 3435 _commandline-\n+0001ea00: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001ea10: 6772 6f6d 6163 735f 6f70 7469 6f6e 733c gromacs_options<\n+0001ea20: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+0001ea30: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+0001ea40: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n+0001ea50: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n+0001ea60: 2220 643d 224d 3735 322e 3837 2c2d 3538 \" d=\"M752.87,-58\n+0001ea70: 312e 3833 4337 3435 2e38 372c 2d35 3636 1.83C745.87,-566\n+0001ea80: 2e37 3620 3733 332e 3436 2c2d 3534 302e .76 733.46,-540.\n+0001ea90: 3638 2037 3231 2e35 362c 2d35 3138 2e39 68 721.56,-518.9\n+0001eaa0: 3620 3639 362e 3837 2c2d 3437 332e 3838 6 696.87,-473.88\n+0001eab0: 2036 3833 2e34 352c 2d34 3636 2e36 2036 683.45,-466.6 6\n+0001eac0: 3631 2e35 362c 2d34 3230 2e30 3920 3634 61.56,-420.09 64\n+0001ead0: 332e 3034 2c2d 3338 302e 3734 2036 3237 3.04,-380.74 627\n+0001eae0: 2e38 322c 2d33 3332 2e32 2036 3139 2e37 .82,-332.2 619.7\n+0001eaf0: 372c 2d33 3034 2e33 3722 2f3e 0a3c 706f 7,-304.37\"/>.<po\n+0001eb00: 6c79 676f 6e20 6669 6c6c 3d22 2332 3832 lygon fill=\"#282\n+0001eb10: 6663 6322 2073 7472 6f6b 653d 2223 3238 fcc\" stroke=\"#28\n+0001eb20: 3266 6363 2220 706f 696e 7473 3d22 3632 2fcc\" points=\"62\n+0001eb30: 332e 3035 2c2d 3330 332e 3132 2036 3136 3.05,-303.12 616\n+0001eb40: 2e39 352c 2d32 3934 2e34 3620 3631 362e .95,-294.46 616.\n+0001eb50: 3332 2c2d 3330 352e 3034 2036 3233 2e30 32,-305.04 623.0\n+0001eb60: 352c 2d33 3033 2e31 3222 2f3e 0a3c 2f67 5,-303.12\"/>.</g\n+0001eb70: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+0001eb80: 635f 6772 6f6d 6163 735f 636f 6d6d 616e c_gromacs_comman\n+0001eb90: 646c 696e 6526 2334 353b 2667 743b 6d6f dline->mo\n+0001eba0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001ebb0: 5f66 696c 6569 6f20 2d2d 3e0a 3c67 2069 _fileio -->.<g i\n+0001ebc0: 643d 2265 6467 6531 3932 2220 636c 6173 d=\"edge192\" clas\n+0001ebd0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+0001ebe0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+0001ebf0: 6163 735f 636f 6d6d 616e 646c 696e 6526 acs_commandline&\n+0001ec00: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+0001ec10: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n+0001ec20: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o......module_\n+0001ed80: 7372 635f 6772 6f6d 6163 735f 7265 7374 src_gromacs_rest\n+0001ed90: 7261 696e 7426 2334 353b 2667 743b 6d6f raint->mo\n+0001eda0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001edb0: 5f67 6d78 6c69 623c 2f74 6974 6c65 3e0a _gmxlib.\n+0001edc0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n+0001ef90: 3c67 2069 643d 2265 6467 6531 3935 2220 .module_src_\n+0001efc0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n+0001efd0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n+0001efe0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n+0001eff0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes......module\n+0001f1d0: 5f73 7263 5f67 726f 6d61 6373 5f72 6573 _src_gromacs_res\n+0001f1e0: 7472 6169 6e74 2623 3435 3b26 6774 3b6d traint->m\n+0001f1f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+0001f200: 735f 646f 6d64 6563 3c2f 7469 746c 653e s_domdec\n+0001f210: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ....\n+0001f360: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..mo\n+0001f3d0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+0001f3e0: 5f67 7075 5f75 7469 6c73 2623 3435 3b26 _gpu_utils-&\n+0001f3f0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+0001f400: 6f6d 6163 735f 7574 696c 6974 793c 2f74 omacs_utility</t\n+0001f410: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+0001f420: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+0001f430: 2332 6363 6332 3822 2073 7472 6f6b 652d #2ccc28\" stroke-\n+0001f440: 6461 7368 6172 7261 793d 2235 2c32 2220 dasharray=\"5,2\" \n+0001f450: 643d 224d 3133 3038 2e31 392c 2d39 3132 d=\"M1308.19,-912\n+0001f460: 2e36 3943 3134 3734 2e31 362c 2d39 3231 .69C1474.16,-921\n+0001f470: 2e39 3220 3231 3235 2e30 362c 2d39 3539 .92 2125.06,-959\n+0001f480: 2e33 3720 3232 3839 2e36 352c 2d39 3639 .37 2289.65,-969\n+0001f490: 2e31 3422 2f3e 0a3c 706f 6c79 676f 6e20 .14\"/>.<polygon \n+0001f4a0: 6669 6c6c 3d22 2332 6363 6332 3822 2073 fill=\"#2ccc28\" s\n+0001f4b0: 7472 6f6b 653d 2223 3263 6363 3238 2220 troke=\"#2ccc28\" \n+0001f4c0: 706f 696e 7473 3d22 3232 3839 2e35 382c points=\"2289.58,\n+0001f4d0: 2d39 3732 2e36 3520 3232 3939 2e37 372c -972.65 2299.77,\n+0001f4e0: 2d39 3639 2e37 3520 3232 3930 2c2d 3936 -969.75 2290,-96\n+0001f4f0: 352e 3636 2032 3238 392e 3538 2c2d 3937 5.66 2289.58,-97\n+0001f500: 322e 3635 222f 3e0a 3c2f 673e 0a3c 212d 2.65\"/>.</g>.<!-\n+0001f510: 2d20 6d6f 6475 6c65 5f73 7263 5f67 726f - module_src_gro\n+0001f520: 6d61 6373 5f67 7075 5f75 7469 6c73 2623 macs_gpu_utils&#\n+0001f530: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+0001f540: 635f 6772 6f6d 6163 735f 6d61 7468 202d c_gromacs_math -\n+0001f550: 2d3e 0a3c 6720 6964 3d22 6564 6765 3139 ->.<g id=\"edge19\n+0001f560: 3822 2063 6c61 7373 3d22 6564 6765 223e 8\" class=\"edge\">\n+0001f570: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n+0001f580: 7263 5f67 726f 6d61 6373 5f67 7075 5f75 rc_gromacs_gpu_u\n+0001f590: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n+0001f5a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f5b0: 6d61 7468 3c2f 7469 746c 653e 0a3c 7061 math....<\n+0001f710: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+0001f720: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+0001f730: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+0001f740: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+0001f750: 7065 7320 2d2d 3e0a 3c67 2069 643d 2265 pes -->..mod\n+0001f780: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+0001f790: 6770 755f 7574 696c 7326 2334 353b 2667 gpu_utils-&g\n+0001f7a0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+0001f7b0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes</ti\n+0001f7c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+0001f7d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+0001f7e0: 3238 3266 6363 2220 7374 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e=\"#282fcc\" poin\n+0001f870: 7473 3d22 3130 3438 2e39 392c 2d38 3534 ts=\"1048.99,-854\n+0001f880: 2e36 2031 3033 382e 3435 2c2d 3835 352e .6 1038.45,-855.\n+0001f890: 3631 2031 3034 372e 3332 2c2d 3836 312e 61 1047.32,-861.\n+0001f8a0: 3420 3130 3438 2e39 392c 2d38 3534 2e36 4 1048.99,-854.6\n 0001f8b0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n 0001f8c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-0001f8d0: 5f61 7070 6c69 6564 5f66 6f72 6365 7326 _applied_forces&\n-0001f8e0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-0001f8f0: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-0001f900: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-0001f910: 6532 3036 2220 636c 6173 733d 2265 6467 e206\" class=\"edg\n-0001f920: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-0001f930: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n-0001f940: 706c 6965 645f 666f 7263 6573 2623 3435 plied_forces-\n-0001f950: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-0001f960: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec</\n-0001f970: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-0001f980: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-0001f990: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n-0001f9a0: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n-0001f9b0: 2064 3d22 4d31 3233 312e 3737 2c2d 3334 d=\"M1231.77,-34\n-0001f9c0: 392e 3632 4331 3330 372e 3839 2c2d 3335 9.62C1307.89,-35\n-0001f9d0: 372e 3131 2031 3435 352e 3237 2c2d 3337 7.11 1455.27,-37\n-0001f9e0: 322e 3832 2031 3537 392e 3536 2c2d 3339 2.82 1579.56,-39\n-0001f9f0: 332e 3232 2031 3639 382e 3033 2c2d 3431 3.22 1698.03,-41\n-0001fa00: 322e 3636 2031 3833 362e 3536 2c2d 3434 2.66 1836.56,-44\n-0001fa10: 332e 3735 2031 3930 332e 3034 2c2d 3435 3.75 1903.04,-45\n-0001fa20: 392e 3139 222f 3e0a 3c70 6f6c 7967 6f6e 9.19\"/>.<polygon\n-0001fa30: 2066 696c 6c3d 2223 3238 3266 6363 2220 fill=\"#282fcc\" \n-0001fa40: 7374 726f 6b65 3d22 2332 3832 6663 6322 stroke=\"#282fcc\"\n-0001fa50: 2070 6f69 6e74 733d 2231 3930 322e 3534 points=\"1902.54\n-0001fa60: 2c2d 3436 322e 3637 2031 3931 332e 3037 ,-462.67 1913.07\n-0001fa70: 2c2d 3436 312e 3533 2031 3930 342e 3133 ,-461.53 1904.13\n-0001fa80: 2c2d 3435 352e 3835 2031 3930 322e 3534 ,-455.85 1902.54\n-0001fa90: 2c2d 3436 322e 3637 222f 3e0a 3c2f 673e ,-462.67\"/>.</g>\n-0001faa0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n-0001fab0: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-0001fac0: 5f66 6f72 6365 7326 2334 353b 2667 743b _forces->\n-0001fad0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-0001fae0: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 202d cs_commandline -\n-0001faf0: 2d3e 0a3c 6720 6964 3d22 6564 6765 3230 ->.<g id=\"edge20\n-0001fb00: 3122 2063 6c61 7373 3d22 6564 6765 223e 1\" class=\"edge\">\n-0001fb10: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .<title>module_s\n-0001fb20: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n-0001fb30: 6564 5f66 6f72 6365 7326 2334 353b 2667 ed_forces-&g\n-0001fb40: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-0001fb50: 6d61 6373 5f63 6f6d 6d61 6e64 6c69 6e65 macs_commandline\n-0001fb60: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......mod\n-0001fd00: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-0001fd10: 6170 706c 6965 645f 666f 7263 6573 2623 applied_forces&#\n-0001fd20: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-0001fd30: 635f 6772 6f6d 6163 735f 6577 616c 643c c_gromacs_ewald<\n-0001fd40: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-0001fd50: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-0001fd60: 3d22 2332 3832 6663 6322 2073 7472 6f6b =\"#282fcc\" strok\n-0001fd70: 652d 6461 7368 6172 7261 793d 2235 2c32 e-dasharray=\"5,2\n-0001fd80: 2220 643d 224d 3132 3331 2e33 312c 2d33 \" d=\"M1231.31,-3\n-0001fd90: 3337 2e37 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7372 >.<!-- module_sr\n-0001fe80: 635f 6772 6f6d 6163 735f 7265 7374 7261 c_gromacs_restra\n-0001fe90: 696e 7426 2334 353b 2667 743b 6d6f 6475 int->modu\n-0001fea0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-0001feb0: 6d78 6c69 6220 2d2d 3e0a 3c67 2069 643d mxlib -->.<g id=\n-0001fec0: 2265 6467 6532 3134 2220 636c 6173 733d \"edge214\" class=\n-0001fed0: 2265 6467 6522 3e0a 3c74 6974 6c65 3e6d \"edge\">.<title>m\n-0001fee0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-0001fef0: 735f 7265 7374 7261 696e 7426 2334 353b s_restraint-\n-0001ff00: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-0001ff10: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n-0001ff20: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n-0001ff30: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n-0001ff40: 2362 6662 6662 6622 2064 3d22 4d31 3938 #bfbfbf\" d=\"M198\n-0001ff50: 322e 3736 2c2d 3335 352e 3732 4332 3032 2.76,-355.72C202\n-0001ff60: 372e 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6373 5f72 le_src_gromacs_r\n-00020050: 6573 7472 6169 6e74 2623 3435 3b26 6774 estraint->\n-00020060: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00020070: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00020080: 3c67 2069 643d 2265 6467 6532 3135 2220 <g id=\"edge215\" \n-00020090: 636c 6173 733d 2265 6467 6522 3e0a 3c74 class=\"edge\">.<t\n-000200a0: 6974 6c65 3e6d 6f64 756c 655f 7372 635f itle>module_src_\n-000200b0: 6772 6f6d 6163 735f 7265 7374 7261 696e gromacs_restrain\n-000200c0: 7426 2334 353b 2667 743b 6d6f 6475 6c65 t->module\n-000200d0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-000200e0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.\n-00020240: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n-000204d0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000204e0: 735f 6d69 6d69 6326 2334 353b 2667 743b s_mimic->\n-000204f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00020500: 6373 5f6d 646c 6962 3c2f 7469 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7263 5f67 >module_src_g\n+0001fd30: 726f 6d61 6373 5f66 6674 202d 2d3e 0a3c romacs_fft -->.<\n+0001fd40: 6720 6964 3d22 6564 6765 3230 3122 2063 g id=\"edge201\" c\n+0001fd50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+0001fd60: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+0001fd70: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+0001fd80: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+0001fd90: 6772 6f6d 6163 735f 6666 743c 2f74 6974 gromacs_fft</tit\n+0001fda0: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+0001fdb0: 6e6f 6e65 2220 7374 726f 6b65 3d22 7265 none\" stroke=\"re\n+0001fdc0: 6422 2064 3d22 4d34 3233 2e31 392c 2d38 d\" d=\"M423.19,-8\n+0001fdd0: 392e 3734 4335 3736 2e33 332c 2d38 312e 9.74C576.33,-81.\n+0001fde0: 3336 2031 3239 382e 3137 2c2d 3431 2e38 36 1298.17,-41.8\n+0001fdf0: 3920 3134 3730 2e35 332c 2d33 322e 3436 9 1470.53,-32.46\n+0001fe00: 222f 3e0a 3c70 6f6c 7967 6f6e 2066 696c \"/>.<polygon 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3435 3b26 6774 3b6d 6f64 756c ld->modul\n+0001ff00: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n+0001ff10: 786c 6962 3c2f 7469 746c 653e 0a3c 7061 xlib......module_src_grom\n+00020120: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+00020130: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00020140: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes..<\n+00020270: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00020280: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00020290: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+000202a0: 3936 312e 3637 2c2d 3834 372e 3639 2039 961.67,-847.69 9\n+000202b0: 3731 2e37 382c 2d38 3434 2e35 3320 3936 71.78,-844.53 96\n+000202c0: 312e 392c 2d38 3430 2e36 3920 3936 312e 1.9,-840.69 961.\n+000202d0: 3637 2c2d 3834 372e 3639 222f 3e0a 3c2f 67,-847.69\"/>....modul\n+00020350: 655f 7372 635f 6772 6f6d 6163 735f 6577 e_src_gromacs_ew\n+00020360: 616c 6426 2334 353b 2667 743b 6d6f 6475 ald->modu\n+00020370: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00020380: 646c 6962 3c2f 7469 746c 653e 0a3c 7061 dlib..\n+00020570: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....m\n+000205e0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+000205f0: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n+00020600: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00020610: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+00020620: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00020630: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00020640: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00020650: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00020660: 3432 332e 3134 2c2d 3934 2e35 3843 3533 423.14,-94.58C53\n+00020670: 392e 3838 2c2d 3130 302e 3135 2039 3930 9.88,-100.15 990\n+00020680: 2e34 382c 2d31 3232 2e37 3920 3133 3630 .48,-122.79 1360\n+00020690: 2e35 362c 2d31 3431 2e37 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e_src_gromacs_gp\n+00020780: 755f 7574 696c 7320 2d2d 3e0a 3c67 2069 u_utils -->.<g i\n+00020790: 643d 2265 6467 6532 3030 2220 636c 6173 d=\"edge200\" clas\n+000207a0: 733d 2265 6467 6522 3e0a 3c74 6974 6c65 s=\"edge\">.<title\n+000207b0: 3e6d 6f64 756c 655f 7372 635f 6772 6f6d >module_src_grom\n+000207c0: 6163 735f 6577 616c 6426 2334 353b 2667 acs_ewald-&g\n+000207d0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+000207e0: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils</\n+000207f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00020800: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00020810: 2272 6564 2220 643d 224d 3337 352e 3834 \"red\" d=\"M375.84\n+00020820: 2c2d 3130 322e 3632 4333 3630 2e34 322c ,-102.62C360.42,\n+00020830: 2d31 3131 2e30 3720 3333 382e 3835 2c2d -111.07 338.85,-\n+00020840: 3132 342e 3739 2033 3234 2e35 362c 2d31 124.79 324.56,-1\n+00020850: 3431 2e37 3420 3330 302e 3738 2c2d 3136 41.74 300.78,-16\n+00020860: 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3930 4.52 1058.71,-90\n+00020950: 302e 3531 2031 3232 302e 3331 2c2d 3930 0.51 1220.31,-90\n+00020960: 362e 3839 222f 3e0a 3c70 6f6c 7967 6f6e 6.89\"/>.<polygon\n+00020970: 2066 696c 6c3d 2272 6564 2220 7374 726f fill=\"red\" stro\n+00020980: 6b65 3d22 7265 6422 2070 6f69 6e74 733d ke=\"red\" points=\n+00020990: 2231 3232 302e 3331 2c2d 3931 302e 3339 \"1220.31,-910.39\n+000209a0: 2031 3233 302e 3434 2c2d 3930 372e 3238 1230.44,-907.28\n+000209b0: 2031 3232 302e 3539 2c2d 3930 332e 3339 1220.59,-903.39\n+000209c0: 2031 3232 302e 3331 2c2d 3931 302e 3339 1220.31,-910.39\n+000209d0: 222f 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f \"/>.</g>.<!-- mo\n+000209e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+000209f0: 5f65 7761 6c64 2623 3435 3b26 6774 3b6d _ewald->m\n+00020a00: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00020a10: 735f 6861 7264 7761 7265 202d 2d3e 0a3c s_hardware -->.<\n+00020a20: 6720 6964 3d22 6564 6765 3230 3722 2063 g id=\"edge207\" c\n+00020a30: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.<ti\n+00020a40: 746c 653e 6d6f 6475 6c65 5f73 7263 5f67 tle>module_src_g\n+00020a50: 726f 6d61 6373 5f65 7761 6c64 2623 3435 romacs_ewald-\n+00020a60: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00020a70: 6772 6f6d 6163 735f 6861 7264 7761 7265 gromacs_hardware\n+00020a80: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ....<\n+00020c40: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00020c50: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+00020c60: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+00020c70: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020c80: 6163 735f 676d 786c 6962 202d 2d3e 0a3c acs_gmxlib -->.<\n+00020c90: 6720 6964 3d22 6564 6765 3231 3122 2063 g id=\"edge211\" c\n+00020ca0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00020cc0: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n+00020cd0: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n+00020ce0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00020cf0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib.\n+00020dc0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .\n+00020e30: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....modu\n+00020eb0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00020ec0: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00020ed0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00020ee0: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00020ef0: 7065 733c 2f74 6974 6c65 3e0a 3c70 6174 pes......module_src_grom\n+00021120: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n+00021130: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n 00021140: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00021150: 5f6d 6474 7970 6573 202d 2d3e 0a3c 6720 _mdtypes -->..module_src_gro\n-00021190: 6d61 6373 5f65 7761 6c64 2623 3435 3b26 macs_ewald-&\n-000211a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-000211b0: 6f6d 6163 735f 6d64 7479 7065 733c 2f74 omacs_mdtypes..<\n-00021320: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-00021330: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-00021340: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-00021350: 3139 3433 2e31 342c 2d38 3837 2e33 3620 1943.14,-887.36 \n-00021360: 3139 3339 2e35 2c2d 3839 372e 3331 2031 1939.5,-897.31 1\n-00021370: 3934 382e 3535 2c2d 3839 312e 3831 2031 948.55,-891.81 1\n-00021380: 3934 332e 3134 2c2d 3838 372e 3336 222f 943.14,-887.36\"/\n-00021390: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....m\n-00021400: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021410: 735f 6577 616c 6426 2334 353b 2667 743b s_ewald->\n-00021420: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00021430: 6373 5f6d 646c 6962 3c2f 7469 746c 653e cs_mdlib\n-00021440: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...<\n-00021520: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...mod\n-00021590: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000215a0: 6577 616c 6426 2334 353b 2667 743b 6d6f ewald->mo\n-000215b0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000215c0: 5f64 6f6d 6465 633c 2f74 6974 6c65 3e0a _domdec.\n-000215d0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n-000216b0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....module_src_gr\n-000217b0: 6f6d 6163 735f 6573 7365 6e74 6961 6c64 omacs_essentiald\n-000217c0: 796e 616d 6963 7326 2334 353b 2667 743b ynamics->\n-000217d0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-000217e0: 6373 5f6d 6472 756e 7574 696c 6974 793c cs_mdrunutility<\n-000217f0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>......m\n-00021a60: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00021a70: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-00021a80: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-00021a90: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00021aa0: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib....<\n-00021c20: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00021c30: 726f 6d61 6373 5f65 7373 656e 7469 616c romacs_essential\n-00021c40: 6479 6e61 6d69 6373 2623 3435 3b26 6774 dynamics->\n-00021c50: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00021c60: 6163 735f 6d64 7479 7065 7320 2d2d 3e0a acs_mdtypes -->.\n-00021c70: 3c67 2069 643d 2265 6467 6532 3331 2220 .module_src_\n-00021ca0: 6772 6f6d 6163 735f 6573 7365 6e74 6961 gromacs_essentia\n-00021cb0: 6c64 796e 616d 6963 7326 2334 353b 2667 ldynamics-&g\n-00021cc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00021cd0: 6d61 6373 5f6d 6474 7970 6573 3c2f 7469 macs_mdtypes..\n-00021e50: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n-00021ed0: 5f73 7263 5f67 726f 6d61 6373 5f65 7373 _src_gromacs_ess\n-00021ee0: 656e 7469 616c 6479 6e61 6d69 6373 2623 entialdynamics&#\n-00021ef0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00021f00: 635f 6772 6f6d 6163 735f 6d64 6c69 623c c_gromacs_mdlib<\n-00021f10: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n-00021f20: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n-00021f30: 3d22 2362 6662 6662 6622 2064 3d22 4d32 =\"#bfbfbf\" d=\"M2\n-00021f40: 3435 312e 3636 2c2d 3136 342e 3136 4332 451.66,-164.16C2\n-00021f50: 3433 382e 3031 2c2d 3136 352e 3820 3234 438.01,-165.8 24\n-00021f60: 3233 2e32 392c 2d31 3637 2e34 2032 3430 23.29,-167.4 240\n-00021f70: 392e 3536 2c2d 3136 382e 3631 2032 3038 9.56,-168.61 208\n-00021f80: 372e 3039 2c2d 3139 372e 3036 2031 3639 7.09,-197.06 169\n-00021f90: 352e 352c 2d32 3131 2e38 3920 3135 3732 5.5,-211.89 1572\n-00021fa0: 2e39 362c 2d32 3135 2e39 222f 3e0a 3c70 .96,-215.9\"/>.<p\n-00021fb0: 6f6c 7967 6f6e 2066 696c 6c3d 2223 6266 olygon fill=\"#bf\n-00021fc0: 6266 6266 2220 7374 726f 6b65 3d22 2362 bfbf\" stroke=\"#b\n-00021fd0: 6662 6662 6622 2070 6f69 6e74 733d 2231 fbfbf\" points=\"1\n-00021fe0: 3537 322e 3832 2c2d 3231 322e 3431 2031 572.82,-212.41 1\n-00021ff0: 3536 322e 3934 2c2d 3231 362e 3233 2031 562.94,-216.23 1\n-00022000: 3537 332e 3035 2c2d 3231 392e 3420 3135 573.05,-219.4 15\n-00022010: 3732 2e38 322c 2d32 3132 2e34 3122 2f3e 72.82,-212.41\"/>\n-00022020: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c .</g>.<!-- modul\n-00022030: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-00022040: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-00022050: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00022060: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-00022070: 6f20 2d2d 3e0a 3c67 2069 643d 2265 6467 o -->.<g id=\"edg\n-00022080: 6532 3237 2220 636c 6173 733d 2265 6467 e227\" class=\"edg\n-00022090: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-000220a0: 655f 7372 635f 6772 6f6d 6163 735f 6573 e_src_gromacs_es\n-000220b0: 7365 6e74 6961 6c64 796e 616d 6963 7326 sentialdynamics&\n-000220c0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000220d0: 7263 5f67 726f 6d61 6373 5f66 696c 6569 rc_gromacs_filei\n-000220e0: 6f3c 2f74 6974 6c65 3e0a 3c70 6174 6820 o.\n-000221b0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 .....m\n-000222a0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-000222b0: 735f 6573 7365 6e74 6961 6c64 796e 616d s_essentialdynam\n-000222c0: 6963 7326 2334 353b 2667 743b 6d6f 6475 ics->modu\n-000222d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-000222e0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec......module_src_grom\n-000224a0: 6163 735f 6573 7365 6e74 6961 6c64 796e acs_essentialdyn\n-000224b0: 616d 6963 7326 2334 353b 2667 743b 6d6f amics->mo\n-000224c0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000224d0: 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 _commandline..\n-00022600: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....mo\n-00022670: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00022680: 5f6d 6174 6826 2334 353b 2667 743b 6d6f _math->mo\n-00022690: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000226a0: 5f6d 6473 7061 6e3c 2f74 6974 6c65 3e0a _mdspan.\n-000226b0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ....\n-000227c0: 0a3c 7469 746c 653e 6d6f 6475 6c65 5f73 .module_s\n-000227d0: 7263 5f67 726f 6d61 6373 5f73 696d 643c rc_gromacs_simd<\n-000227e0: 2f74 6974 6c65 3e0a 3c67 2069 643d 2261 /title>.<g id=\"a\n-000227f0: 5f6e 6f64 6534 3422 3e3c 6120 786c 696e _node44\"><a xlin\n-00022800: 6b3a 6872 6566 3d22 6772 6f75 705f 5f6d k:href=\"group__m\n-00022810: 6f64 756c 655f 5f73 696d 642e 7868 746d odule__simd.xhtm\n-00022820: 6c22 2074 6172 6765 743d 225f 746f 7022 l\" target=\"_top\"\n-00022830: 2078 6c69 6e6b 3a74 6974 6c65 3d22 7369 xlink:title=\"si\n-00022840: 6d64 223e 0a3c 656c 6c69 7073 6520 6669 md\">.<ellipse fi\n-00022850: 6c6c 3d22 2366 6665 3463 6322 2073 7472 ll=\"#ffe4cc\" str\n-00022860: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n-00022870: 3537 382e 3536 2220 6379 3d22 2d31 3232 578.56\" cy=\"-122\n-00022880: 332e 3937 2220 7278 3d22 3237 2220 7279 3.97\" rx=\"27\" ry\n-00022890: 3d22 3133 2e33 3722 2f3e 0a3c 7465 7874 =\"13.37\"/>.<text\n-000228a0: 2074 6578 742d 616e 6368 6f72 3d22 6d69 text-anchor=\"mi\n-000228b0: 6464 6c65 2220 783d 2235 3738 2e35 3622 ddle\" x=\"578.56\"\n-000228c0: 2079 3d22 2d31 3232 312e 3437 2220 666f y=\"-1221.47\" fo\n-000228d0: 6e74 2d66 616d 696c 793d 2246 7265 6553 nt-family=\"FreeS\n-000228e0: 616e 7322 2066 6f6e 742d 7369 7a65 3d22 ans\" font-size=\"\n-000228f0: 3130 2e30 3022 3e73 696d 643c 2f74 6578 10.00\">simd</tex\n-00022900: 743e 0a3c 2f61 3e0a 3c2f 673e 0a3c 2f67 t>.</a>.</g>.</g\n-00022910: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n-00022920: 635f 6772 6f6d 6163 735f 6d6f 6475 6c61 c_gromacs_modula\n-00022930: 7273 696d 756c 6174 6f72 2623 3435 3b26 rsimulator-&\n-00022940: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00022950: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n-00022960: 7479 202d 2d3e 0a3c 6720 6964 3d22 6564 ty -->.<g id=\"ed\n-00022970: 6765 3234 3022 2063 6c61 7373 3d22 6564 ge240\" class=\"ed\n-00022980: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n-00022990: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000229a0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-000229b0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-000229c0: 7263 5f67 726f 6d61 6373 5f6d 6472 756e rc_gromacs_mdrun\n-000229d0: 7574 696c 6974 793c 2f74 6974 6c65 3e0a utility.\n-000229e0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ...<\n-00022bd0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00022be0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00022bf0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00022c00: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00022c10: 6373 5f72 616e 646f 6d20 2d2d 3e0a 3c67 cs_random -->..module_src_gr\n-00022c50: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00022c60: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00022c70: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022c80: 735f 7261 6e64 6f6d 3c2f 7469 746c 653e s_random\n-00022c90: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......m\n-00022e80: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00022e90: 735f 6d6f 6475 6c61 7273 696d 756c 6174 s_modularsimulat\n-00022ea0: 6f72 2623 3435 3b26 6774 3b6d 6f64 756c or->modul\n-00022eb0: 655f 7372 635f 6772 6f6d 6163 735f 6770 e_src_gromacs_gp\n-00022ec0: 755f 7574 696c 733c 2f74 6974 6c65 3e0a u_utils.\n-00022ed0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .....mod\n-000230d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000230e0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n-000230f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-00023100: 7372 635f 6772 6f6d 6163 735f 6c69 7374 src_gromacs_list\n-00023110: 6564 5f66 6f72 6365 733c 2f74 6974 6c65 ed_forces</title\n-00023120: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n-00023130: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n-00023140: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n-00023150: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n-00023160: 3138 3335 2e35 332c 2d35 3833 2e34 3143 1835.53,-583.41C\n-00023170: 3138 3736 2e32 342c 2d35 3637 2e35 3820 1876.24,-567.58 \n-00023180: 3139 3437 2e33 322c 2d35 3334 2e33 3420 1947.32,-534.34 \n-00023190: 3139 3837 2e35 362c 2d34 3832 2e39 3620 1987.56,-482.96 \n-000231a0: 3230 3237 2e35 362c 2d34 3331 2e38 3920 2027.56,-431.89 \n-000231b0: 3230 3335 2e36 312c 2d32 3535 2e37 3220 2035.61,-255.72 \n-000231c0: 3230 3735 2e35 362c 2d32 3034 2e36 3120 2075.56,-204.61 \n-000231d0: 3230 3836 2e37 322c 2d31 3930 2e33 3420 2086.72,-190.34 \n-000231e0: 3231 3033 2e33 352c 2d31 3739 2e32 3520 2103.35,-179.25 \n-000231f0: 3231 3138 2e34 382c 2d31 3731 2e33 222f 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module_src_groma\n-00023680: 6373 5f6d 6f64 756c 6172 7369 6d75 6c61 cs_modularsimula\n-00023690: 746f 7226 2334 353b 2667 743b 6d6f 6475 tor->modu\n-000236a0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-000236b0: 6472 756e 202d 2d3e 0a3c 6720 6964 3d22 drun -->.<g id=\"\n-000236c0: 6564 6765 3233 3922 2063 6c61 7373 3d22 edge239\" class=\"\n-000236d0: 6564 6765 223e 0a3c 7469 746c 653e 6d6f edge\">.<title>mo\n-000236e0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000236f0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-00023700: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-00023710: 5f73 7263 5f67 726f 6d61 6373 5f6d 6472 _src_gromacs_mdr\n-00023720: 756e 3c2f 7469 746c 653e 0a3c 7061 7468 un..\n-00023790: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 .\n-00023800: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ..\n-00023850: 3c67 2069 643d 2265 6467 6532 3336 2220 .module_src_\n-00023880: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n-00023890: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n-000238a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-000238b0: 6163 735f 676d 786c 6962 3c2f 7469 746c acs_gmxlib....\n-00023a50: 0a3c 6720 6964 3d22 6564 6765 3234 3322 ..<\n-00023a70: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00023a80: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n-00023a90: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n-00023aa0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00023ab0: 6d61 6373 5f63 6f6d 7061 743c 2f74 6974 macs_compat......mo\n-00023c90: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-00023ca0: 5f6d 6f64 756c 6172 7369 6d75 6c61 746f _modularsimulato\n-00023cb0: 7226 2334 353b 2667 743b 6d6f 6475 6c65 r->module\n-00023cc0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6474 _src_gromacs_mdt\n-00023cd0: 7970 6573 3c2f 7469 746c 653e 0a3c 7061 ypes.\n-00023da0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-00023e10: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module_src_gr\n-00023e90: 6f6d 6163 735f 6d6f 6475 6c61 7273 696d omacs_modularsim\n-00023ea0: 756c 6174 6f72 2623 3435 3b26 6774 3b6d ulator->m\n-00023eb0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n-00023ec0: 735f 6d64 6c69 623c 2f74 6974 6c65 3e0a s_mdlib.\n-00023ed0: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n-00024030: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n-000240b0: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n-000240c0: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n-000240d0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n-000240e0: 6772 6f6d 6163 735f 6669 6c65 696f 3c2f gromacs_fileio</\n-000240f0: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n-00024100: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n-00024110: 2223 6266 6266 6266 2220 643d 224d 3137 \"#bfbfbf\" d=\"M17\n-00024120: 3535 2e32 362c 2d36 3034 2e30 3743 3137 55.26,-604.07C17\n-00024130: 3432 2e30 382c 2d36 3035 2e37 3420 3137 42.08,-605.74 17\n-00024140: 3237 2e38 332c 2d36 3037 2e33 3920 3137 27.83,-607.39 17\n-00024150: 3134 2e35 362c 2d36 3038 2e37 2031 3437 14.56,-608.7 147\n-00024160: 312e 3537 2c2d 3633 322e 3737 2031 3137 1.57,-632.77 117\n-00024170: 372e 3637 2c2d 3634 392e 3938 2031 3037 7.67,-649.98 107\n-00024180: 352e 3531 2c2d 3635 352e 3336 222f 3e0a 5.51,-655.36\"/>.\n-00024190: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n-000241a0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n-000241b0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n-000241c0: 2231 3037 352e 322c 2d36 3531 2e38 3720 \"1075.2,-651.87 \n-000241d0: 3130 3635 2e33 392c 2d36 3535 2e38 3820 1065.39,-655.88 \n-000241e0: 3130 3735 2e35 362c 2d36 3538 2e38 3620 1075.56,-658.86 \n-000241f0: 3130 3735 2e32 2c2d 3635 312e 3837 222f 1075.2,-651.87\"/\n-00024200: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n-00024210: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n-00024220: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n-00024230: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024240: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n-00024250: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n-00024260: 6532 3334 2220 636c 6173 733d 2265 6467 e234\" class=\"edg\n-00024270: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n-00024280: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n-00024290: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n-000242a0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-000242b0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n-000242c0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....<\n-00024420: 6720 6964 3d22 6564 6765 3233 3322 2063 g id=\"edge233\" c\n-00024430: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00024450: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n-00024460: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n-00024470: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n-00024480: 6373 5f63 6f6d 6d61 6e64 6c69 6e65 3c2f cs_commandline...\n-000245e0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n-00024850: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n-00024860: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n-00024870: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024880: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-00024890: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_gr\n-00024a10: 6f6d 6163 735f 7075 6c6c 696e 6726 2334 omacs_pulling\n-00024a20: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-00024a30: 5f67 726f 6d61 6373 5f6d 6472 756e 7574 _gromacs_mdrunut\n-00024a40: 696c 6974 793c 2f74 6974 6c65 3e0a 3c70 ility.....\n-00024c50: 3c67 2069 643d 2265 6467 6532 3439 2220 .module_src_\n-00024c80: 6772 6f6d 6163 735f 7075 6c6c 696e 6726 gromacs_pulling&\n-00024c90: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00024ca0: 7263 5f67 726f 6d61 6373 5f67 6d78 6c69 rc_gromacs_gmxli\n-00024cb0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b..\n-00024d80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...<\n-00024e40: 6720 6964 3d22 6564 6765 3235 3022 2063 g id=\"edge250\" c\n-00024e50: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00024e70: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n-00024e80: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00024e90: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n-00024ea0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s....\n-00025060: 0a3c 6720 6964 3d22 6564 6765 3235 3522 ..<\n-00025080: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00025090: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n-000250a0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n-000250b0: 7372 635f 6772 6f6d 6163 735f 6d64 6c69 src_gromacs_mdli\n-000250c0: 623c 2f74 6974 6c65 3e0a 3c70 6174 6820 b......module_\n-00025470: 7372 635f 6772 6f6d 6163 735f 7075 6c6c src_gromacs_pull\n-00025480: 696e 6726 2334 353b 2667 743b 6d6f 6475 ing->modu\n-00025490: 6c65 5f73 7263 5f67 726f 6d61 6373 5f64 le_src_gromacs_d\n-000254a0: 6f6d 6465 633c 2f74 6974 6c65 3e0a 3c70 omdec..<\n-00025530: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00025540: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00025550: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00025560: 3138 3939 2e39 362c 2d34 3739 2e37 3920 1899.96,-479.79 \n-00025570: 3139 3039 2e34 2c2d 3437 342e 3939 2031 1909.4,-474.99 1\n-00025580: 3839 392e 3032 2c2d 3437 322e 3836 2031 899.02,-472.86 1\n-00025590: 3839 392e 3936 2c2d 3437 392e 3739 222f 899.96,-479.79\"/\n-000255a0: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....mod\n-000257a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000257b0: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n-000257c0: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..topology....modu\n-00025aa0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f74 le_src_gromacs_t\n-00025ab0: 6f70 6f6c 6f67 7926 2334 353b 2667 743b opology->\n-00025ac0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-00025ad0: 7469 6c73 3c2f 7469 746c 653e 0a3c 7061 tils.....<\n-00025c70: 6720 6964 3d22 6564 6765 3236 3422 2063 g id=\"edge264\" c\n-00025c80: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n-00025ca0: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-00025cb0: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-00025cc0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-00025cd0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n-00025ce0: 793c 2f74 6974 6c65 3e0a 3c70 6174 6820 y...\n-00025e40: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n-000260d0: 6f6d 6163 735f 6170 706c 6965 645f 666f omacs_applied_fo\n-000260e0: 7263 6573 5f61 7768 2623 3435 3b26 6774 rces_awh->\n-000260f0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00026100: 6163 735f 6d64 7370 616e 3c2f 7469 746c acs_mdspan..<\n-00026240: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00026250: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n-00026260: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n-00026270: 3639 362e 3637 2c2d 3438 2e30 3720 3638 696.67,-48.07 68\n-00026280: 372e 3731 2c2d 3432 2e34 3220 3639 312e 7.71,-42.42 691.\n-00026290: 3139 2c2d 3532 2e34 3320 3639 362e 3637 19,-52.43 696.67\n-000262a0: 2c2d 3438 2e30 3722 2f3e 0a3c 2f67 3e0a ,-48.07\"/>..\n-000262b0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f \n-00026300: 0a3c 6720 6964 3d22 6564 6765 3236 3322 ..<\n-00026320: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00026330: 5f67 726f 6d61 6373 5f61 7070 6c69 6564 _gromacs_applied\n-00026340: 5f66 6f72 6365 735f 6177 6826 2334 353b _forces_awh-\n-00026350: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00026360: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib......module\n-000264d0: 5f73 7263 5f67 726f 6d61 6373 5f61 7070 _src_gromacs_app\n-000264e0: 6c69 6564 5f66 6f72 6365 735f 6177 6826 lied_forces_awh&\n-000264f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n-00026500: 7263 5f67 726f 6d61 6373 5f6d 6474 7970 rc_gromacs_mdtyp\n-00026510: 6573 3c2f 7469 746c 653e 0a3c 7061 7468 es..<\n-000265b0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n-000265c0: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n-000265d0: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n-000265e0: 3138 3735 2e36 342c 2d39 3130 2e32 3220 1875.64,-910.22 \n-000265f0: 3138 3835 2e37 362c 2d39 3037 2e31 3120 1885.76,-907.11 \n-00026600: 3138 3735 2e39 2c2d 3930 332e 3233 2031 1875.9,-903.23 1\n-00026610: 3837 352e 3634 2c2d 3931 302e 3232 222f 875.64,-910.22\"/\n-00026620: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....mod\n-000266a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-000266b0: 6170 706c 6965 645f 666f 7263 6573 5f61 applied_forces_a\n-000266c0: 7768 2623 3435 3b26 6774 3b6d 6f64 756c wh->modul\n-000266d0: 655f 7372 635f 6772 6f6d 6163 735f 6669 e_src_gromacs_fi\n-000266e0: 6c65 696f 3c2f 7469 746c 653e 0a3c 7061 leio....<\n-00026880: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n-00026890: 726f 6d61 6373 5f61 7070 6c69 6564 5f66 romacs_applied_f\n-000268a0: 6f72 6365 735f 6177 6826 2334 353b 2667 orces_awh-&g\n-000268b0: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n-000268c0: 6d61 6373 5f74 7261 6a65 6374 6f72 7920 macs_trajectory \n-000268d0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->..module_\n-00026900: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n-00026910: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n-00026920: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00026930: 635f 6772 6f6d 6163 735f 7472 616a 6563 c_gromacs_trajec\n-00026940: 746f 7279 3c2f 7469 746c 653e 0a3c 7061 tory......module\n-00026af0: 5f73 7263 5f74 6573 7475 7469 6c73 2623 _src_testutils&#\n-00026b00: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n-00026b10: 635f 6772 6f6d 6163 735f 6770 755f 7574 c_gromacs_gpu_ut\n-00026b20: 696c 733c 2f74 6974 6c65 3e0a 3c70 6174 ils..\n-00026be0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....\n-00026cc0: 6d6f 6475 6c65 5f73 7263 5f74 6573 7475 module_src_testu\n-00026cd0: 7469 6c73 2623 3435 3b26 6774 3b6d 6f64 tils->mod\n-00026ce0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00026cf0: 6861 7264 7761 7265 3c2f 7469 746c 653e hardware\n-00026d00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ..\n-00026dd0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2272 ....m\n-00026eb0: 6f64 756c 655f 7372 635f 7465 7374 7574 odule_src_testut\n-00026ec0: 696c 7326 2334 353b 2667 743b 6d6f 6475 ils->modu\n-00026ed0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n-00026ee0: 6d78 7072 6570 726f 6365 7373 3c2f 7469 mxpreprocess</ti\n-00026ef0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n-00026f00: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n-00026f10: 6266 6266 6266 2220 643d 224d 3237 3837 bfbfbf\" d=\"M2787\n-00026f20: 2e38 2c2d 3131 3038 2e34 3143 3237 3832 .8,-1108.41C2782\n-00026f30: 2e31 392c 2d31 3130 392e 3732 2032 3737 .19,-1109.72 277\n-00026f40: 362e 3233 2c2d 3131 3130 2e38 3820 3237 6.23,-1110.88 27\n-00026f50: 3730 2e35 362c 2d31 3131 312e 3636 2032 70.56,-1111.66 2\n-00026f60: 3630 362e 3438 2c2d 3131 3334 2e31 3320 606.48,-1134.13 \n-00026f70: 3134 3236 2c2d 3131 3534 2e33 3620 3131 1426,-1154.36 11\n-00026f80: 3237 2e31 342c 2d31 3135 392e 3037 222f 27.14,-1159.07\"/\n-00026f90: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n-00026fa0: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n-00026fb0: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n-00026fc0: 733d 2231 3132 362e 3832 2c2d 3131 3535 s=\"1126.82,-1155\n-00026fd0: 2e35 3720 3131 3136 2e38 382c 2d31 3135 .57 1116.88,-115\n-00026fe0: 392e 3233 2031 3132 362e 3933 2c2d 3131 9.23 1126.93,-11\n-00026ff0: 3632 2e35 3720 3131 3236 2e38 322c 2d31 62.57 1126.82,-1\n-00027000: 3135 352e 3537 222f 3e0a 3c2f 673e 0a3c 155.57\"/>.</g>.<\n-00027010: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f74 !-- module_src_t\n-00027020: 6573 7475 7469 6c73 2623 3435 3b26 6774 estutils->\n-00027030: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n-00027040: 6163 735f 636f 6d6d 616e 646c 696e 6520 acs_commandline \n-00027050: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n-00027060: 3630 2220 636c 6173 733d 2265 6467 6522 60\" class=\"edge\"\n-00027070: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n-00027080: 7372 635f 7465 7374 7574 696c 7326 2334 src_testutils\n-00027090: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n-000270a0: 5f67 726f 6d61 6373 5f63 6f6d 6d61 6e64 _gromacs_command\n-000270b0: 6c69 6e65 3c2f 7469 746c 653e 0a3c 7061 line.\n-000271a0: 0a3c 706f 6c79 676f 6e20 6669 6c6c 3d22 ...\n-00027440: 0a3c 6720 6964 3d22 6564 6765 3237 3122 ..<\n-00027460: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n-00027470: 5f70 726f 6772 616d 735f 6d64 7275 6e5f _programs_mdrun_\n-00027480: 7465 7374 7326 2334 353b 2667 743b 6d6f tests->mo\n-00027490: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n-000274a0: 5f68 6172 6477 6172 653c 2f74 6974 6c65 _hardware......module_src_pr\n-000276c0: 6f67 7261 6d73 5f6d 6472 756e 5f74 6573 ograms_mdrun_tes\n-000276d0: 7473 2623 3435 3b26 6774 3b6d 6f64 756c ts->modul\n-000276e0: 655f 7372 635f 6772 6f6d 6163 735f 676d e_src_gromacs_gm\n-000276f0: 7861 6e61 3c2f 7469 746c 653e 0a3c 7061 xana..<\n-00027840: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n-00027850: 6363 6332 3822 2073 7472 6f6b 653d 2223 ccc28\" stroke=\"#\n-00027860: 3263 6363 3238 2220 706f 696e 7473 3d22 2ccc28\" points=\"\n-00027870: 3932 382e 3039 2c2d 3937 302e 3538 2039 928.09,-970.58 9\n-00027880: 3138 2e30 342c 2d39 3733 2e39 3520 3932 18.04,-973.95 92\n-00027890: 372e 3939 2c2d 3937 372e 3538 2039 3238 7.99,-977.58 928\n-000278a0: 2e30 392c 2d39 3730 2e35 3822 2f3e 0a3c .09,-970.58\"/>.<\n-000278b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n-00027930: 655f 7372 635f 7072 6f67 7261 6d73 5f6d e_src_programs_m\n-00027940: 6472 756e 5f74 6573 7473 2623 3435 3b26 drun_tests-&\n-00027950: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n-00027960: 6f6d 6163 735f 676d 7870 7265 7072 6f63 omacs_gmxpreproc\n-00027970: 6573 733c 2f74 6974 6c65 3e0a 3c70 6174 ess......module_src_pro\n-00027b20: 6772 616d 735f 6d64 7275 6e5f 7465 7374 grams_mdrun_test\n-00027b30: 7326 2334 353b 2667 743b 6d6f 6475 6c65 s->module\n-00027b40: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n-00027b50: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio..\n-00027cd0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....modu\n-00027dc0: 6c65 5f73 7263 5f70 726f 6772 616d 735f le_src_programs_\n-00027dd0: 6d64 7275 6e5f 7465 7374 7326 2334 353b mdrun_tests-\n-00027de0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n-00027df0: 726f 6d61 6373 5f63 6f6d 6d61 6e64 6c69 romacs_commandli\n-00027e00: 6e65 3c2f 7469 746c 653e 0a3c 7061 7468 ne..\n-00027f80: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ...\n-00028500: 3c67 2069 643d 2265 6467 6532 3730 2220 .module_src_\n-00028530: 7072 6f67 7261 6d73 5f6d 6472 756e 5f74 programs_mdrun_t\n-00028540: 6573 7473 2623 3435 3b26 6774 3b6d 6f64 ests->mod\n-00028550: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n-00028560: 7472 616a 6563 746f 7279 3c2f 7469 746c trajectory......\n+00021150: 5f6d 646c 6962 3c2f 7469 746c 653e 0a3c _mdlib.<\n+00021160: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00021170: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00021180: 2220 643d 224d 3133 3836 2e35 312c 2d32 \" d=\"M1386.51,-2\n+00021190: 3330 2e39 3743 3134 3330 2e37 372c 2d32 30.97C1430.77,-2\n+000211a0: 3632 2e34 3120 3135 3334 2e32 352c 2d33 62.41 1534.25,-3\n+000211b0: 3532 2e33 3320 3135 3635 2e35 362c 2d34 52.33 1565.56,-4\n+000211c0: 3536 2e30 3920 3135 3933 2e32 332c 2d35 56.09 1593.23,-5\n+000211d0: 3437 2e37 3820 3135 3435 2e34 362c 2d35 47.78 1545.46,-5\n+000211e0: 3738 2e36 3220 3135 3638 2e35 362c 2d36 78.62 1568.56,-6\n+000211f0: 3731 2e35 3720 3135 3736 2e38 372c 2d37 71.57 1576.87,-7\n+00021200: 3035 2e30 3120 3135 3936 2e37 382c 2d37 05.01 1596.78,-7\n+00021210: 3339 2e37 3620 3136 3038 2e35 372c 2d37 39.76 1608.57,-7\n+00021220: 3631 2e33 3522 2f3e 0a3c 706f 6c79 676f 61.35\"/>.....modu\n+00021520: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00021530: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00021540: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00021550: 7372 635f 6772 6f6d 6163 735f 646f 6d64 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3438 2038 3237 2e36 56,-267.48 827.6\n+000217b0: 382c 2d32 3732 2e36 3120 3737 392c 2d34 8,-272.61 779,-4\n+000217c0: 3938 2e35 3520 3736 332e 3337 2c2d 3537 98.55 763.37,-57\n+000217d0: 312e 3638 222f 3e0a 3c70 6f6c 7967 6f6e 1.68\"/>.<polygon\n+000217e0: 2066 696c 6c3d 2262 6c61 636b 2220 7374 fill=\"black\" st\n+000217f0: 726f 6b65 3d22 626c 6163 6b22 2070 6f69 roke=\"black\" poi\n+00021800: 6e74 733d 2237 3539 2e39 2c2d 3537 312e nts=\"759.9,-571.\n+00021810: 3137 2037 3631 2e32 342c 2d35 3831 2e36 17 761.24,-581.6\n+00021820: 3820 3736 362e 3735 2c2d 3537 322e 3634 8 766.75,-572.64\n+00021830: 2037 3539 2e39 2c2d 3537 312e 3137 222f 759.9,-571.17\"/\n+00021840: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00021850: 6c65 5f73 7263 5f67 726f 6d61 6373 5f65 le_src_gromacs_e\n+00021860: 7373 656e 7469 616c 6479 6e61 6d69 6373 ssentialdynamics\n+00021870: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00021880: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00021890: 6e75 7469 6c69 7479 202d 2d3e 0a3c 6720 nutility -->.<g \n+000218a0: 6964 3d22 6564 6765 3231 3322 2063 6c61 id=\"edge213\" cla\n+000218b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000218c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000218d0: 6d61 6373 5f65 7373 656e 7469 616c 6479 macs_essentialdy\n+000218e0: 6e61 6d69 6373 2623 3435 3b26 6774 3b6d namics->m\n+000218f0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00021900: 735f 6d64 7275 6e75 7469 6c69 7479 3c2f s_mdrunutility</\n+00021910: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00021920: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00021930: 2223 3238 3266 6363 2220 7374 726f 6b65 \"#282fcc\" stroke\n+00021940: 2d64 6173 6861 7272 6179 3d22 352c 3222 -dasharray=\"5,2\"\n+00021950: 2064 3d22 4d31 3330 312e 3431 2c2d 3232 d=\"M1301.41,-22\n+00021960: 322e 3638 4331 3233 352e 3438 2c2d 3232 2.68C1235.48,-22\n+00021970: 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352e 3332 ,-446.37 1105.32\n+00021a60: 2c2d 3434 352e 3433 222f 3e0a 3c2f 673e ,-445.43\"/>.</g>\n+00021a70: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 .<!-- module_src\n+00021a80: 5f67 726f 6d61 6373 5f6d 696d 6963 2623 _gromacs_mimic&#\n+00021a90: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00021aa0: 635f 6772 6f6d 6163 735f 6d64 6c69 6220 c_gromacs_mdlib \n+00021ab0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00021ac0: 3135 2220 636c 6173 733d 2265 6467 6522 15\" class=\"edge\"\n+00021ad0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00021ae0: 7372 635f 6772 6f6d 6163 735f 6d69 6d69 src_gromacs_mimi\n+00021af0: 6326 2334 353b 2667 743b 6d6f 6475 6c65 c->module\n+00021b00: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00021b10: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib......mo\n+00021ce0: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00021cf0: 5f73 696d 643c 2f74 6974 6c65 3e0a 3c67 _simd.<\n+00021d10: 6120 786c 696e 6b3a 6872 6566 3d22 6772 a xlink:href=\"gr\n+00021d20: 6f75 705f 5f6d 6f64 756c 655f 5f73 696d oup__module__sim\n+00021d30: 642e 7868 746d 6c22 2074 6172 6765 743d d.xhtml\" target=\n+00021d40: 225f 746f 7022 2078 6c69 6e6b 3a74 6974 \"_top\" xlink:tit\n+00021d50: 6c65 3d22 7369 6d64 223e 0a3c 656c 6c69 le=\"simd\">..s\n+00021e10: 696d 643c 2f74 6578 743e 0a3c 2f61 3e0a imd..\n+00021e20: 3c2f 673e 0a3c 2f67 3e0a 3c21 2d2d 206d ...\n+00021e80: 3c67 2069 643d 2265 6467 6532 3230 2220 .module_src_\n+00021eb0: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+00021ec0: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n+00021ed0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00021ee0: 6163 735f 6c69 7374 6564 5f66 6f72 6365 acs_listed_force\n+00021ef0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......mod\n+000220d0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000220e0: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+000220f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00022100: 7372 635f 6772 6f6d 6163 735f 6e62 6e78 src_gromacs_nbnx\n+00022110: 6d3c 2f74 6974 6c65 3e0a 3c70 6174 6820 m..\n+000222d0: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module_src_gro\n+00022360: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00022370: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00022380: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022390: 5f74 6173 6b61 7373 6967 6e6d 656e 743c _taskassignment<\n+000223a0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+00022480: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00022490: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+000224a0: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+000224b0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000224c0: 6373 5f6d 6472 756e 202d 2d3e 0a3c 6720 cs_mdrun -->..module_src_gro\n+00022500: 6d61 6373 5f6d 6f64 756c 6172 7369 6d75 macs_modularsimu\n+00022510: 6c61 746f 7226 2334 353b 2667 743b 6d6f lator->mo\n+00022520: 6475 6c65 5f73 7263 5f67 726f 6d61 6373 dule_src_gromacs\n+00022530: 5f6d 6472 756e 3c2f 7469 746c 653e 0a3c _mdrun.<\n+00022540: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00022550: 2073 7472 6f6b 653d 2272 6564 2220 643d stroke=\"red\" d=\n+00022560: 224d 3133 3539 2e38 362c 2d33 3535 2e39 \"M1359.86,-355.9\n+00022570: 3943 3133 3832 2e34 322c 2d33 3635 2e37 9C1382.42,-365.7\n+00022580: 3820 3134 3133 2e31 322c 2d33 3830 2e30 8 1413.12,-380.0\n+00022590: 3820 3134 3334 2e37 372c 2d33 3930 2e38 8 1434.77,-390.8\n+000225a0: 3222 2f3e 0a3c 706f 6c79 676f 6e20 6669 2\"/>.\n+00022610: 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 756c ....module\n+00022690: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+000226a0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+000226b0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+000226c0: 5f67 726f 6d61 6373 5f67 6d78 6c69 623c _gromacs_gmxlib<\n+000226d0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+000226e0: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+000226f0: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00022700: 3239 382e 3231 2c2d 3335 352e 3439 4331 298.21,-355.49C1\n+00022710: 3237 302e 3239 2c2d 3336 342e 3920 3132 270.29,-364.9 12\n+00022720: 3239 2c2d 3337 392e 3234 2031 3139 332e 29,-379.24 1193.\n+00022730: 3536 2c2d 3339 332e 3232 2031 3132 382e 56,-393.22 1128.\n+00022740: 362c 2d34 3138 2e38 3520 3131 3038 2e36 6,-418.85 1108.6\n+00022750: 312c 2d34 3138 2e38 3220 3130 3439 2e35 1,-418.82 1049.5\n+00022760: 362c 2d34 3536 2e30 3920 3937 372e 3433 6,-456.09 977.43\n+00022770: 2c2d 3530 312e 3632 2039 3638 2e35 352c ,-501.62 968.55,\n+00022780: 2d35 3235 2e34 3320 3930 342e 3536 2c2d -525.43 904.56,-\n+00022790: 3538 312e 3833 2038 3931 2e31 332c 2d35 581.83 891.13,-5\n+000227a0: 3933 2e36 3720 3838 392e 3036 2c2d 3539 93.67 889.06,-59\n+000227b0: 382e 3220 3837 342e 3536 2c2d 3630 382e 8.2 874.56,-608.\n+000227c0: 3720 3835 372e 3031 2c2d 3632 312e 3431 7 857.01,-621.41\n+000227d0: 2038 3335 2e38 372c 2d36 3333 2e35 3920 835.87,-633.59 \n+000227e0: 3831 392e 3138 2c2d 3634 322e 3535 222f 819.18,-642.55\"/\n+000227f0: 3e0a 3c70 6f6c 7967 6f6e 2066 696c 6c3d >.<polygon fill=\n+00022800: 2223 6266 6266 6266 2220 7374 726f 6b65 \"#bfbfbf\" stroke\n+00022810: 3d22 2362 6662 6662 6622 2070 6f69 6e74 =\"#bfbfbf\" point\n+00022820: 733d 2238 3137 2e31 342c 2d36 3339 2e36 s=\"817.14,-639.6\n+00022830: 3720 3830 392e 3934 2c2d 3634 372e 3434 7 809.94,-647.44\n+00022840: 2038 3230 2e34 322c 2d36 3435 2e38 3620 820.42,-645.86 \n+00022850: 3831 372e 3134 2c2d 3633 392e 3637 222f 817.14,-639.67\"/\n+00022860: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00022870: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00022880: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00022890: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+000228a0: 7263 5f67 726f 6d61 6373 5f63 6f6d 7061 rc_gromacs_compa\n+000228b0: 7420 2d2d 3e0a 3c67 2069 643d 2265 6467 t -->.<g id=\"edg\n+000228c0: 6532 3236 2220 636c 6173 733d 2265 6467 e226\" class=\"edg\n+000228d0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000228e0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+000228f0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+00022900: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00022910: 635f 6772 6f6d 6163 735f 636f 6d70 6174 c_gromacs_compat\n+00022920: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n+00022ad0: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+00022ae0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+00022af0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00022b00: 6d64 7479 7065 733c 2f74 6974 6c65 3e0a mdtypes.\n+00022b10: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 ..\n+00022c70: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module\n+00022eb0: 5f73 7263 5f67 726f 6d61 6373 5f6d 6f64 _src_gromacs_mod\n+00022ec0: 756c 6172 7369 6d75 6c61 746f 7226 2334 ularsimulator\n+00022ed0: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00022ee0: 5f67 726f 6d61 6373 5f66 696c 6569 6f3c _gromacs_fileio<\n+00022ef0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>.<path fi\n+00022f00: 6c6c 3d22 6e6f 6e65 2220 7374 726f 6b65 ll=\"none\" stroke\n+00022f10: 3d22 2362 6662 6662 6622 2064 3d22 4d31 =\"#bfbfbf\" d=\"M1\n+00022f20: 3339 312e 3933 2c2d 3334 382e 3343 3134 391.93,-348.3C14\n+00022f30: 3633 2e32 332c 2d33 3533 2e37 3520 3135 63.23,-353.75 15\n+00022f40: 3734 2e37 352c 2d33 3636 2e35 3120 3136 74.75,-366.51 16\n+00022f50: 3035 2e35 362c 2d33 3933 2e32 3220 3136 05.56,-393.22 16\n+00022f60: 3337 2e33 342c 2d34 3230 2e37 3620 3136 37.34,-420.76 16\n+00022f70: 3033 2e36 392c 2d34 3535 2e35 3320 3136 03.69,-455.53 16\n+00022f80: 3335 2e35 362c 2d34 3832 2e39 3620 3136 35.56,-482.96 16\n+00022f90: 3730 2e30 392c 2d35 3132 2e36 3720 3138 70.09,-512.67 18\n+00022fa0: 3031 2e34 372c 2d35 3234 2e38 3120 3138 01.47,-524.81 18\n+00022fb0: 3636 2e36 362c 2d35 3239 2e32 222f 3e0a 66.66,-529.2\"/>.\n+00022fc0: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 <polygon fill=\"#\n+00022fd0: 6266 6266 6266 2220 7374 726f 6b65 3d22 bfbfbf\" stroke=\"\n+00022fe0: 2362 6662 6662 6622 2070 6f69 6e74 733d #bfbfbf\" points=\n+00022ff0: 2231 3836 362e 372c 2d35 3332 2e37 3120 \"1866.7,-532.71 \n+00023000: 3138 3736 2e39 312c 2d35 3239 2e38 3620 1876.91,-529.86 \n+00023010: 3138 3637 2e31 362c 2d35 3235 2e37 3220 1867.16,-525.72 \n+00023020: 3138 3636 2e37 2c2d 3533 322e 3731 222f 1866.7,-532.71\"/\n+00023030: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >.</g>.<!-- modu\n+00023040: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00023050: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+00023060: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00023070: 7263 5f67 726f 6d61 6373 5f64 6f6d 6465 rc_gromacs_domde\n+00023080: 6320 2d2d 3e0a 3c67 2069 643d 2265 6467 c -->.<g id=\"edg\n+00023090: 6532 3137 2220 636c 6173 733d 2265 6467 e217\" class=\"edg\n+000230a0: 6522 3e0a 3c74 6974 6c65 3e6d 6f64 756c e\">.<title>modul\n+000230b0: 655f 7372 635f 6772 6f6d 6163 735f 6d6f e_src_gromacs_mo\n+000230c0: 6475 6c61 7273 696d 756c 6174 6f72 2623 dularsimulator&#\n+000230d0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000230e0: 635f 6772 6f6d 6163 735f 646f 6d64 6563 c_gromacs_domdec\n+000230f0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 .....\n+00023250: 3c67 2069 643d 2265 6467 6532 3136 2220 .module_src_\n+00023280: 6772 6f6d 6163 735f 6d6f 6475 6c61 7273 gromacs_modulars\n+00023290: 696d 756c 6174 6f72 2623 3435 3b26 6774 imulator->\n+000232a0: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+000232b0: 6163 735f 636f 6d6d 616e 646c 696e 653c acs_commandline<\n+000232c0: 2f74 6974 6c65 3e0a 3c70 6174 6820 6669 /title>....<\n+000233e0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+000233f0: 726f 6d61 6373 5f6d 6f64 756c 6172 7369 romacs_modularsi\n+00023400: 6d75 6c61 746f 7226 2334 353b 2667 743b mulator->\n+00023410: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023420: 6373 5f67 7075 5f75 7469 6c73 202d 2d3e cs_gpu_utils -->\n+00023430: 0a3c 6720 6964 3d22 6564 6765 3233 3122 ..<\n+00023450: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00023460: 5f67 726f 6d61 6373 5f6d 6f64 756c 6172 _gromacs_modular\n+00023470: 7369 6d75 6c61 746f 7226 2334 353b 2667 simulator-&g\n+00023480: 743b 6d6f 6475 6c65 5f73 7263 5f67 726f t;module_src_gro\n+00023490: 6d61 6373 5f67 7075 5f75 7469 6c73 3c2f macs_gpu_utils......modu\n+000236d0: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+000236e0: 6f64 756c 6172 7369 6d75 6c61 746f 7226 odularsimulator&\n+000236f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00023700: 7263 5f67 726f 6d61 6373 5f65 7761 6c64 rc_gromacs_ewald\n+00023710: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ......module_src_grom\n+000238c0: 6163 735f 6d6f 6475 6c61 7273 696d 756c acs_modularsimul\n+000238d0: 6174 6f72 2623 3435 3b26 6774 3b6d 6f64 ator->mod\n+000238e0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000238f0: 7075 6c6c 696e 673c 2f74 6974 6c65 3e0a pulling.\n+00023900: 3c70 6174 6820 6669 6c6c 3d22 6e6f 6e65 .\n+00023980: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2223 ....mod\n+00023a70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00023a80: 6d6f 6475 6c61 7273 696d 756c 6174 6f72 modularsimulator\n+00023a90: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00023aa0: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00023ab0: 6e75 7469 6c69 7479 3c2f 7469 746c 653e nutility\n+00023ac0: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ...\n+00023bb0: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...module_\n+00023c30: 7372 635f 6772 6f6d 6163 735f 6d6f 6475 src_gromacs_modu\n+00023c40: 6c61 7273 696d 756c 6174 6f72 2623 3435 larsimulator-\n+00023c50: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00023c60: 6772 6f6d 6163 735f 7261 6e64 6f6d 3c2f gromacs_random</\n+00023c70: 7469 746c 653e 0a3c 7061 7468 2066 696c title>.<path fil\n+00023c80: 6c3d 226e 6f6e 6522 2073 7472 6f6b 653d l=\"none\" stroke=\n+00023c90: 2262 6c61 636b 2220 7374 726f 6b65 2d64 \"black\" stroke-d\n+00023ca0: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00023cb0: 3d22 4d31 3338 372e 3839 2c2d 3333 372e =\"M1387.89,-337.\n+00023cc0: 3338 4331 3531 352e 3435 2c2d 3332 352e 38C1515.45,-325.\n+00023cd0: 3336 2031 3832 302e 3339 2c2d 3239 362e 36 1820.39,-296.\n+00023ce0: 3633 2031 3933 332e 3433 2c2d 3238 352e 63 1933.43,-285.\n+00023cf0: 3938 222f 3e0a 3c70 6f6c 7967 6f6e 2066 98\"/>.<polygon f\n+00023d00: 696c 6c3d 2262 6c61 636b 2220 7374 726f ill=\"black\" stro\n+00023d10: 6b65 3d22 626c 6163 6b22 2070 6f69 6e74 ke=\"black\" point\n+00023d20: 733d 2231 3933 332e 3832 2c2d 3238 392e s=\"1933.82,-289.\n+00023d30: 3436 2031 3934 332e 3435 2c2d 3238 352e 46 1943.45,-285.\n+00023d40: 3034 2031 3933 332e 3136 2c2d 3238 322e 04 1933.16,-282.\n+00023d50: 3439 2031 3933 332e 3832 2c2d 3238 392e 49 1933.82,-289.\n+00023d60: 3436 222f 3e0a 3c2f 673e 0a3c 212d 2d20 46\"/>.</g>.<!-- \n+00023d70: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00023d80: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+00023d90: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00023da0: 6f6d 6163 735f 676d 786c 6962 202d 2d3e omacs_gmxlib -->\n+00023db0: 0a3c 6720 6964 3d22 6564 6765 3233 3222 .<g id=\"edge232\"\n+00023dc0: 2063 6c61 7373 3d22 6564 6765 223e 0a3c class=\"edge\">.<\n+00023dd0: 7469 746c 653e 6d6f 6475 6c65 5f73 7263 title>module_src\n+00023de0: 5f67 726f 6d61 6373 5f70 756c 6c69 6e67 _gromacs_pulling\n+00023df0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00023e00: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00023e10: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib.....<\n+00023f90: 6720 6964 3d22 6564 6765 3233 3322 2063 g id=\"edge233\" c\n+00023fa0: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00023fc0: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00023fd0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00023fe0: 635f 6772 6f6d 6163 735f 6d64 7479 7065 c_gromacs_mdtype\n+00023ff0: 733c 2f74 6974 6c65 3e0a 3c70 6174 6820 s......module_src_grom\n+000241d0: 6163 735f 7075 6c6c 696e 6726 2334 353b acs_pulling-\n+000241e0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+000241f0: 726f 6d61 6373 5f6d 646c 6962 3c2f 7469 romacs_mdlib...\n+00024310: 3c2f 673e 0a3c 212d 2d20 6d6f 6475 6c65 ...\n+00024380: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024390: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+000243a0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000243b0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio</ti\n+000243c0: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+000243d0: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+000243e0: 6266 6266 6266 2220 643d 224d 3937 362e bfbfbf\" d=\"M976.\n+000243f0: 3639 2c2d 3238 342e 3333 4331 3036 342e 69,-284.33C1064.\n+00024400: 3938 2c2d 3239 312e 3534 2031 3332 322e 98,-291.54 1322.\n+00024410: 3032 2c2d 3331 332e 3433 2031 3430 342e 02,-313.43 1404.\n+00024420: 3536 2c2d 3333 302e 3335 2031 3439 372e 56,-330.35 1497.\n+00024430: 352c 2d33 3439 2e34 2031 3532 392e 3035 5,-349.4 1529.05\n+00024440: 2c2d 3334 312e 3436 2031 3630 382e 3536 ,-341.46 1608.56\n+00024450: 2c2d 3339 332e 3232 2031 3635 322e 3835 ,-393.22 1652.85\n+00024460: 2c2d 3432 322e 3035 2031 3634 312e 3137 ,-422.05 1641.17\n+00024470: 2c2d 3435 352e 3931 2031 3638 362e 3536 ,-455.91 1686.56\n+00024480: 2c2d 3438 322e 3936 2031 3734 332e 3332 ,-482.96 1743.32\n+00024490: 2c2d 3531 362e 3738 2031 3832 312e 3139 ,-516.78 1821.19\n+000244a0: 2c2d 3532 372e 3033 2031 3836 362e 3536 ,-527.03 1866.56\n+000244b0: 2c2d 3533 302e 3131 222f 3e0a 3c70 6f6c ,-530.11\"/>.<pol\n+000244c0: 7967 6f6e 2066 696c 6c3d 2223 6266 6266 ygon fill=\"#bfbf\n+000244d0: 6266 2220 7374 726f 6b65 3d22 2362 6662 bf\" stroke=\"#bfb\n+000244e0: 6662 6622 2070 6f69 6e74 733d 2231 3836 fbf\" points=\"186\n+000244f0: 362e 3336 2c2d 3533 332e 3620 3138 3736 6.36,-533.6 1876\n+00024500: 2e35 352c 2d35 3330 2e37 2031 3836 362e .55,-530.7 1866.\n+00024510: 3738 2c2d 3532 362e 3631 2031 3836 362e 78,-526.61 1866.\n+00024520: 3336 2c2d 3533 332e 3622 2f3e 0a3c 2f67 36,-533.6\"/>.</g\n+00024530: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00024540: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+00024550: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+00024560: 5f73 7263 5f67 726f 6d61 6373 5f64 6f6d _src_gromacs_dom\n+00024570: 6465 6320 2d2d 3e0a 3c67 2069 643d 2265 dec -->.<g id=\"e\n+00024580: 6467 6532 3337 2220 636c 6173 733d 2265 dge237\" class=\"e\n+00024590: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+000245a0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+000245b0: 7075 6c6c 696e 6726 2334 353b 2667 743b pulling->\n+000245c0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+000245d0: 6373 5f64 6f6d 6465 633c 2f74 6974 6c65 cs_domdec</title\n+000245e0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+000245f0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00024600: 6663 6322 2073 7472 6f6b 652d 6461 7368 fcc\" stroke-dash\n+00024610: 6172 7261 793d 2235 2c32 2220 643d 224d array=\"5,2\" d=\"M\n+00024620: 3936 312e 342c 2d32 3638 2e38 3843 3938 961.4,-268.88C98\n+00024630: 352e 332c 2d32 3531 2e37 3720 3130 3334 5.3,-251.77 1034\n+00024640: 2e34 312c 2d32 3139 2e32 3920 3130 3831 .41,-219.29 1081\n+00024650: 2e35 362c 2d32 3034 2e36 3120 3131 3637 .56,-204.61 1167\n+00024660: 2e36 352c 2d31 3737 2e38 3120 3134 3337 .65,-177.81 1437\n+00024670: 2e32 372c 2d31 3633 2e30 3820 3135 3435 .27,-163.08 1545\n+00024680: 2e37 312c 2d31 3538 2e31 3122 2f3e 0a3c .71,-158.11\"/>.<\n+00024690: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+000246a0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+000246b0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+000246c0: 3135 3436 2e31 372c 2d31 3631 2e36 2031 1546.17,-161.6 1\n+000246d0: 3535 362c 2d31 3537 2e36 3520 3135 3435 556,-157.65 1545\n+000246e0: 2e38 352c 2d31 3534 2e36 2031 3534 362e .85,-154.6 1546.\n+000246f0: 3137 2c2d 3136 312e 3622 2f3e 0a3c 2f67 17,-161.6\"/>.</g\n+00024700: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00024710: 635f 6772 6f6d 6163 735f 7075 6c6c 696e c_gromacs_pullin\n+00024720: 6726 2334 353b 2667 743b 6d6f 6475 6c65 g->module\n+00024730: 5f73 7263 5f67 726f 6d61 6373 5f63 6f6d _src_gromacs_com\n+00024740: 6d61 6e64 6c69 6e65 202d 2d3e 0a3c 6720 mandline -->.<g \n+00024750: 6964 3d22 6564 6765 3233 3422 2063 6c61 id=\"edge234\" cla\n+00024760: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+00024770: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+00024780: 6d61 6373 5f70 756c 6c69 6e67 2623 3435 macs_pulling-\n+00024790: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+000247a0: 6772 6f6d 6163 735f 636f 6d6d 616e 646c gromacs_commandl\n+000247b0: 696e 653c 2f74 6974 6c65 3e0a 3c70 6174 ine..<\n+00024890: 706f 6c79 676f 6e20 6669 6c6c 3d22 626c polygon fill=\"bl\n+000248a0: 6163 6b22 2073 7472 6f6b 653d 2262 6c61 ack\" stroke=\"bla\n+000248b0: 636b 2220 706f 696e 7473 3d22 3737 332e ck\" points=\"773.\n+000248c0: 3635 2c2d 3537 312e 3839 2037 3639 2e38 65,-571.89 769.8\n+000248d0: 392c 2d35 3831 2e37 3920 3737 392e 3031 9,-581.79 779.01\n+000248e0: 2c2d 3537 362e 3420 3737 332e 3635 2c2d ,-576.4 773.65,-\n+000248f0: 3537 312e 3839 222f 3e0a 3c2f 673e 0a3c 571.89\"/>..<\n+00024900: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00024910: 726f 6d61 6373 5f70 756c 6c69 6e67 2623 romacs_pulling&#\n+00024920: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+00024930: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00024940: 7469 6c69 7479 202d 2d3e 0a3c 6720 6964 tility -->..\n+00024970: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024980: 6373 5f70 756c 6c69 6e67 2623 3435 3b26 cs_pulling-&\n+00024990: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+000249a0: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+000249b0: 7479 3c2f 7469 746c 653e 0a3c 7061 7468 ty......modu\n+00024b30: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6c le_src_gromacs_l\n+00024b40: 696e 6561 7261 6c67 6562 7261 3c2f 7469 inearalgebra</ti\n+00024b50: 746c 653e 0a3c 656c 6c69 7073 6520 6669 tle>.<ellipse fi\n+00024b60: 6c6c 3d22 2362 6662 6662 6622 2073 7472 ll=\"#bfbfbf\" str\n+00024b70: 6f6b 653d 2262 6c61 636b 2220 6378 3d22 oke=\"black\" cx=\"\n+00024b80: 3830 302e 3536 2220 6379 3d22 2d31 3238 800.56\" cy=\"-128\n+00024b90: 362e 3834 2220 7278 3d22 3530 2e34 3122 6.84\" rx=\"50.41\"\n+00024ba0: 2072 793d 2231 332e 3337 222f 3e0a 3c74 ry=\"13.37\"/>.<t\n+00024bb0: 6578 7420 7465 7874 2d61 6e63 686f 723d ext text-anchor=\n+00024bc0: 226d 6964 646c 6522 2078 3d22 3830 302e \"middle\" x=\"800.\n+00024bd0: 3536 2220 793d 222d 3132 3834 2e33 3422 56\" y=\"-1284.34\"\n+00024be0: 2066 6f6e 742d 6661 6d69 6c79 3d22 4672 font-family=\"Fr\n+00024bf0: 6565 5361 6e73 2220 666f 6e74 2d73 697a eeSans\" font-siz\n+00024c00: 653d 2231 302e 3030 223e 6c69 6e65 6172 e=\"10.00\">linear\n+00024c10: 616c 6765 6272 613c 2f74 6578 743e 0a3c algebra</text>.<\n+00024c20: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>.<!-- module_\n+00024c30: 7372 635f 6772 6f6d 6163 735f 746f 706f src_gromacs_topo\n+00024c40: 6c6f 6779 202d 2d3e 0a3c 6720 6964 3d22 logy -->.<g id=\"\n+00024c50: 6e6f 6465 3432 2220 636c 6173 733d 226e node42\" class=\"n\n+00024c60: 6f64 6522 3e0a 3c74 6974 6c65 3e6d 6f64 ode\">.<title>mod\n+00024c70: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00024c80: 746f 706f 6c6f 6779 3c2f 7469 746c 653e topology\n+00024c90: 0a3c 656c 6c69 7073 6520 6669 6c6c 3d22 ..topology....\n+00024dc0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00024dd0: 6373 5f74 6f70 6f6c 6f67 7926 2334 353b cs_topology-\n+00024de0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f74 >module_src_t\n+00024df0: 6573 7475 7469 6c73 3c2f 7469 746c 653e estutils\n+00024e00: 0a3c 7061 7468 2066 696c 6c3d 226e 6f6e ......modul\n+00024fa0: 655f 7372 635f 6772 6f6d 6163 735f 746f e_src_gromacs_to\n+00024fb0: 706f 6c6f 6779 2623 3435 3b26 6774 3b6d pology->m\n+00024fc0: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00024fd0: 735f 6d64 7479 7065 733c 2f74 6974 6c65 s_mdtypes</title\n+00024fe0: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00024ff0: 6e65 2220 7374 726f 6b65 3d22 2332 3832 ne\" stroke=\"#282\n+00025000: 6663 6322 2073 7472 6f6b 652d 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src_gromacs_swap\n+000250f0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00025100: 7372 635f 6772 6f6d 6163 735f 676d 786c src_gromacs_gmxl\n+00025110: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00025120: 6765 3234 3322 2063 6c61 7373 3d22 6564 ge243\" class=\"ed\n+00025130: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00025140: 6c65 5f73 7263 5f67 726f 6d61 6373 5f73 le_src_gromacs_s\n+00025150: 7761 7026 2334 353b 2667 743b 6d6f 6475 wap->modu\n+00025160: 6c65 5f73 7263 5f67 726f 6d61 6373 5f67 le_src_gromacs_g\n+00025170: 6d78 6c69 623c 2f74 6974 6c65 3e0a 3c70 mxlib......\n+000252f0: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025300: 6373 5f73 7761 7026 2334 353b 2667 743b cs_swap->\n+00025310: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00025320: 6373 5f6d 6474 7970 6573 3c2f 7469 746c cs_mdtypes</titl\n+00025330: 653e 0a3c 7061 7468 2066 696c 6c3d 226e e>.<path fill=\"n\n+00025340: 6f6e 6522 2073 7472 6f6b 653d 2223 6266 one\" stroke=\"#bf\n+00025350: 6266 6266 2220 643d 224d 3137 3532 2e31 bfbf\" d=\"M1752.1\n+00025360: 372c 2d33 3535 2e39 3243 3137 3634 2e31 7,-355.92C1764.1\n+00025370: 342c 2d33 3635 2e37 3320 3137 3832 2e30 4,-365.73 1782.0\n+00025380: 322c 2d33 3830 2e34 2031 3739 372e 3536 2,-380.4 1797.56\n+00025390: 2c2d 3339 332e 3232 2031 3837 392e 3531 ,-393.22 1879.51\n+000253a0: 2c2d 3436 302e 3834 2031 3839 302e 3931 ,-460.84 1890.91\n+000253b0: 2c2d 3439 302e 3432 2031 3938 312e 3536 ,-490.42 1981.56\n+000253c0: 2c2d 3534 352e 3833 2032 3031 362e 3232 ,-545.83 2016.22\n+000253d0: 2c2d 3536 372e 3031 2032 3034 332e 322c ,-567.01 2043.2,\n+000253e0: 2d35 3437 2e39 3220 3230 3635 2e35 362c -547.92 2065.56,\n+000253f0: 2d35 3831 2e38 3320 3231 3037 2e36 2c2d -581.83 2107.6,-\n+00025400: 3634 352e 3539 2032 3034 392e 3637 2c2d 645.59 2049.67,-\n+00025410: 3639 312e 3433 2031 3938 362e 3536 2c2d 691.43 1986.56,-\n+00025420: 3733 342e 3434 2031 3833 322e 3934 2c2d 734.44 1832.94,-\n+00025430: 3833 392e 3134 2031 3233 332e 3533 2c2d 839.14 1233.53,-\n+00025440: 3834 362e 3235 2031 3035 382e 3037 2c2d 846.25 1058.07,-\n+00025450: 3834 362e 3034 222f 3e0a 3c70 6f6c 7967 846.04\"/>.<polyg\n+00025460: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+00025470: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+00025480: 6622 2070 6f69 6e74 733d 2231 3035 372e f\" points=\"1057.\n+00025490: 3836 2c2d 3834 322e 3534 2031 3034 372e 86,-842.54 1047.\n+000254a0: 3835 2c2d 3834 362e 3032 2031 3035 372e 85,-846.02 1057.\n+000254b0: 3834 2c2d 3834 392e 3534 2031 3035 372e 84,-849.54 1057.\n+000254c0: 3836 2c2d 3834 322e 3534 222f 3e0a 3c2f 86,-842.54\"/>.</\n+000254d0: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+000254e0: 7263 5f67 726f 6d61 6373 5f73 7761 7026 rc_gromacs_swap&\n+000254f0: 2334 353b 2667 743b 6d6f 6475 6c65 5f73 #45;>module_s\n+00025500: 7263 5f67 726f 6d61 6373 5f6d 646c 6962 rc_gromacs_mdlib\n+00025510: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00025520: 3234 3422 2063 6c61 7373 3d22 6564 6765 244\" class=\"edge\n+00025530: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00025540: 5f73 7263 5f67 726f 6d61 6373 5f73 7761 _src_gromacs_swa\n+00025550: 7026 2334 353b 2667 743b 6d6f 6475 6c65 p->module\n+00025560: 5f73 7263 5f67 726f 6d61 6373 5f6d 646c _src_gromacs_mdl\n+00025570: 6962 3c2f 7469 746c 653e 0a3c 7061 7468 ib...\n+00025730: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_\n+000257a0: 7372 635f 6772 6f6d 6163 735f 7377 6170 src_gromacs_swap\n+000257b0: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+000257c0: 7372 635f 6772 6f6d 6163 735f 6669 6c65 src_gromacs_file\n+000257d0: 696f 3c2f 7469 746c 653e 0a3c 7061 7468 io.....\n+00025900: 3c67 2069 643d 2265 6467 6532 3431 2220 .module_src_\n+00025930: 6772 6f6d 6163 735f 7377 6170 2623 3435 gromacs_swap-\n+00025940: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025950: 6772 6f6d 6163 735f 646f 6d64 6563 3c2f gromacs_domdec....<\n+00025a60: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00025a70: 726f 6d61 6373 5f73 7761 7026 2334 353b romacs_swap-\n+00025a80: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00025a90: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00025aa0: 6974 7920 2d2d 3e0a 3c67 2069 643d 2265 ity -->..mod\n+00025ad0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025ae0: 7377 6170 2623 3435 3b26 6774 3b6d 6f64 swap->mod\n+00025af0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025b00: 6d64 7275 6e75 7469 6c69 7479 3c2f 7469 mdrunutility</ti\n+00025b10: 746c 653e 0a3c 7061 7468 2066 696c 6c3d tle>.<path fill=\n+00025b20: 226e 6f6e 6522 2073 7472 6f6b 653d 2223 \"none\" stroke=\"#\n+00025b30: 3238 3266 6363 2220 7374 726f 6b65 2d64 282fcc\" stroke-d\n+00025b40: 6173 6861 7272 6179 3d22 352c 3222 2064 asharray=\"5,2\" d\n+00025b50: 3d22 4d31 3731 372e 392c 2d33 3532 2e37 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61.47\"/>.</g>.<!\n+00025c40: 2d2d 206d 6f64 756c 655f 7372 635f 6772 -- module_src_gr\n+00025c50: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00025c60: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00025c70: 655f 7372 635f 6772 6f6d 6163 735f 6d64 e_src_gromacs_md\n+00025c80: 7275 6e20 2d2d 3e0a 3c67 2069 643d 2265 run -->.<g id=\"e\n+00025c90: 6467 6532 3530 2220 636c 6173 733d 2265 dge250\" class=\"e\n+00025ca0: 6467 6522 3e0a 3c74 6974 6c65 3e6d 6f64 dge\">.<title>mod\n+00025cb0: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025cc0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+00025cd0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025ce0: 6772 6f6d 6163 735f 6d64 7275 6e3c 2f74 gromacs_mdrun</t\n+00025cf0: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00025d00: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00025d10: 7265 6422 2064 3d22 4d31 3134 332e 3132 red\" d=\"M1143.12\n+00025d20: 2c2d 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src_gromacs_gmxl\n+00025e10: 6962 202d 2d3e 0a3c 6720 6964 3d22 6564 ib -->.<g id=\"ed\n+00025e20: 6765 3235 3122 2063 6c61 7373 3d22 6564 ge251\" class=\"ed\n+00025e30: 6765 223e 0a3c 7469 746c 653e 6d6f 6475 ge\">.<title>modu\n+00025e40: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00025e50: 6472 756e 7574 696c 6974 7926 2334 353b drunutility-\n+00025e60: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00025e70: 726f 6d61 6373 5f67 6d78 6c69 623c 2f74 romacs_gmxlib</t\n+00025e80: 6974 6c65 3e0a 3c70 6174 6820 6669 6c6c itle>.<path fill\n+00025e90: 3d22 6e6f 6e65 2220 7374 726f 6b65 3d22 =\"none\" stroke=\"\n+00025ea0: 2362 6662 6662 6622 2064 3d22 4d31 3038 #bfbfbf\" d=\"M108\n+00025eb0: 392e 3338 2c2d 3438 322e 3239 4331 3035 9.38,-482.29C105\n+00025ec0: 342e 3638 2c2d 3530 372e 3234 2039 3730 4.68,-507.24 970\n+00025ed0: 2e31 332c 2d35 3636 2e36 3520 3839 342e .13,-566.65 894.\n+00025ee0: 3536 2c2d 3630 382e 3720 3837 302e 3637 56,-608.7 870.67\n+00025ef0: 2c2d 3632 312e 3939 2038 3432 2e35 2c2d ,-621.99 842.5,-\n+00025f00: 3633 342e 3936 2038 3231 2e35 312c 2d36 634.96 821.51,-6\n+00025f10: 3434 2e31 3222 2f3e 0a3c 706f 6c79 676f 44.12\"/>.<polygo\n+00025f20: 6e20 6669 6c6c 3d22 2362 6662 6662 6622 n fill=\"#bfbfbf\"\n+00025f30: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00025f40: 2220 706f 696e 7473 3d22 3831 392e 3931 \" points=\"819.91\n+00025f50: 2c2d 3634 3120 3831 322e 3132 2c2d 3634 ,-641 812.12,-64\n+00025f60: 382e 3138 2038 3232 2e36 392c 2d36 3437 8.18 822.69,-647\n+00025f70: 2e34 3220 3831 392e 3931 2c2d 3634 3122 .42 819.91,-641\"\n+00025f80: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />.</g>.<!-- mod\n+00025f90: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00025fa0: 6d64 7275 6e75 7469 6c69 7479 2623 3435 mdrunutility-\n+00025fb0: 3b26 6774 3b6d 6f64 756c 655f 7372 635f ;>module_src_\n+00025fc0: 6772 6f6d 6163 735f 6d64 7479 7065 7320 gromacs_mdtypes \n+00025fd0: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00025fe0: 3437 2220 636c 6173 733d 2265 6467 6522 47\" class=\"edge\"\n+00025ff0: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00026000: 7372 635f 6772 6f6d 6163 735f 6d64 7275 src_gromacs_mdru\n+00026010: 6e75 7469 6c69 7479 2623 3435 3b26 6774 nutility->\n+00026020: 3b6d 6f64 756c 655f 7372 635f 6772 6f6d ;module_src_grom\n+00026030: 6163 735f 6d64 7479 7065 733c 2f74 6974 acs_mdtypes</tit\n+00026040: 6c65 3e0a 3c70 6174 6820 6669 6c6c 3d22 le>.<path fill=\"\n+00026050: 6e6f 6e65 2220 7374 726f 6b65 3d22 2362 none\" stroke=\"#b\n+00026060: 6662 6662 6622 2064 3d22 4d31 3039 362e fbfbf\" d=\"M1096.\n+00026070: 3931 2c2d 3438 322e 3838 4331 3038 332e 91,-482.88C1083.\n+00026080: 3435 2c2d 3530 322e 3735 2031 3035 372e 45,-502.75 1057.\n+00026090: 3638 2c2d 3534 332e 3437 2031 3034 342e 68,-543.47 1044.\n+000260a0: 3536 2c2d 3538 312e 3833 2031 3031 352e 56,-581.83 1015.\n+000260b0: 3237 2c2d 3636 372e 3438 2031 3031 302e 27,-667.48 1010.\n+000260c0: 3331 2c2d 3737 362e 3535 2031 3030 392e 31,-776.55 1009.\n+000260d0: 362c 2d38 3233 2e30 3722 2f3e 0a3c 706f 6,-823.07\"/>.<po\n+000260e0: 6c79 676f 6e20 6669 6c6c 3d22 2362 6662 lygon fill=\"#bfb\n+000260f0: 6662 6622 2073 7472 6f6b 653d 2223 6266 fbf\" stroke=\"#bf\n+00026100: 6266 6266 2220 706f 696e 7473 3d22 3130 bfbf\" points=\"10\n+00026110: 3036 2e31 2c2d 3832 332e 3232 2031 3030 06.1,-823.22 100\n+00026120: 392e 352c 2d38 3333 2e32 3520 3130 3133 9.5,-833.25 1013\n+00026130: 2e31 2c2d 3832 332e 3239 2031 3030 362e .1,-823.29 1006.\n+00026140: 312c 2d38 3233 2e32 3222 2f3e 0a3c 2f67 1,-823.22\"/>.</g\n+00026150: 3e0a 3c21 2d2d 206d 6f64 756c 655f 7372 >.<!-- module_sr\n+00026160: 635f 6772 6f6d 6163 735f 6d64 7275 6e75 c_gromacs_mdrunu\n+00026170: 7469 6c69 7479 2623 3435 3b26 6774 3b6d tility->m\n+00026180: 6f64 756c 655f 7372 635f 6772 6f6d 6163 odule_src_gromac\n+00026190: 735f 6669 6c65 696f 202d 2d3e 0a3c 6720 s_fileio -->.<g \n+000261a0: 6964 3d22 6564 6765 3234 3922 2063 6c61 id=\"edge249\" cla\n+000261b0: 7373 3d22 6564 6765 223e 0a3c 7469 746c ss=\"edge\">.<titl\n+000261c0: 653e 6d6f 6475 6c65 5f73 7263 5f67 726f e>module_src_gro\n+000261d0: 6d61 6373 5f6d 6472 756e 7574 696c 6974 macs_mdrunutilit\n+000261e0: 7926 2334 353b 2667 743b 6d6f 6475 6c65 y->module\n+000261f0: 5f73 7263 5f67 726f 6d61 6373 5f66 696c _src_gromacs_fil\n+00026200: 6569 6f3c 2f74 6974 6c65 3e0a 3c70 6174 eio....<\n+000262f0: 212d 2d20 6d6f 6475 6c65 5f73 7263 5f67 !-- module_src_g\n+00026300: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00026310: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+00026320: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+00026330: 6f6d 6d61 6e64 6c69 6e65 202d 2d3e 0a3c ommandline -->.<\n+00026340: 6720 6964 3d22 6564 6765 3234 3822 2063 g id=\"edge248\" c\n+00026350: 6c61 7373 3d22 6564 6765 223e 0a3c 7469 lass=\"edge\">.module_src_g\n+00026370: 726f 6d61 6373 5f6d 6472 756e 7574 696c romacs_mdrunutil\n+00026380: 6974 7926 2334 353b 2667 743b 6d6f 6475 ity->modu\n+00026390: 6c65 5f73 7263 5f67 726f 6d61 6373 5f63 le_src_gromacs_c\n+000263a0: 6f6d 6d61 6e64 6c69 6e65 3c2f 7469 746c ommandline..\n+00026430: 3c70 6f6c 7967 6f6e 2066 696c 6c3d 2262 .\n+000264a0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...module_src_gr\n+00026520: 6f6d 6163 735f 6d64 7275 6e75 7469 6c69 omacs_mdrunutili\n+00026530: 7479 2623 3435 3b26 6774 3b6d 6f64 756c ty->modul\n+00026540: 655f 7372 635f 6772 6f6d 6163 735f 6861 e_src_gromacs_ha\n+00026550: 7264 7761 7265 3c2f 7469 746c 653e 0a3c rdware.<\n+00026560: 7061 7468 2066 696c 6c3d 226e 6f6e 6522 path fill=\"none\"\n+00026570: 2073 7472 6f6b 653d 2223 6266 6266 6266 stroke=\"#bfbfbf\n+00026580: 2220 643d 224d 3131 3034 2e38 332c 2d34 \" d=\"M1104.83,-4\n+00026590: 3833 2e31 3843 3131 3033 2e37 392c 2d34 83.18C1103.79,-4\n+000265a0: 3938 2e32 3520 3131 3031 2e34 322c 2d35 98.25 1101.42,-5\n+000265b0: 3234 2e31 3220 3130 3936 2e35 362c 2d35 24.12 1096.56,-5\n+000265c0: 3435 2e38 3320 3130 3932 2e38 372c 2d35 45.83 1092.87,-5\n+000265d0: 3632 2e32 3920 3130 3837 2e32 362c 2d35 62.29 1087.26,-5\n+000265e0: 3635 2e31 3820 3130 3834 2e35 362c 2d35 65.18 1084.56,-5\n+000265f0: 3831 2e38 3320 3130 3539 2e39 2c2d 3733 81.83 1059.9,-73\n+00026600: 332e 3832 2031 3033 392e 3234 2c2d 3831 3.82 1039.24,-81\n+00026610: 302e 3732 2031 3134 342e 3536 2c2d 3932 0.72 1144.56,-92\n+00026620: 332e 3035 2031 3136 352e 3331 2c2d 3934 3.05 1165.31,-94\n+00026630: 352e 3138 2031 3139 372e 3337 2c2d 3935 5.18 1197.37,-95\n+00026640: 372e 3335 2031 3232 332e 3639 2c2d 3936 7.35 1223.69,-96\n+00026650: 332e 3935 222f 3e0a 3c70 6f6c 7967 6f6e 3.95\"/>..\n+000266d0: 0a3c 212d 2d20 6d6f 6475 6c65 5f73 7263 ...\n+00026740: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026750: 6373 5f68 6172 6477 6172 6526 2334 353b cs_hardware-\n+00026760: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026770: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+00026780: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ..<\n+000267f0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2362 polygon fill=\"#b\n+00026800: 6662 6662 6622 2073 7472 6f6b 653d 2223 fbfbf\" stroke=\"#\n+00026810: 6266 6266 6266 2220 706f 696e 7473 3d22 bfbfbf\" points=\"\n+00026820: 3132 3636 2e31 352c 2d39 3333 2e32 3520 1266.15,-933.25 \n+00026830: 3132 3633 2e38 312c 2d39 3232 2e39 3220 1263.81,-922.92 \n+00026840: 3132 3539 2e32 2c2d 3933 322e 3435 2031 1259.2,-932.45 1\n+00026850: 3236 362e 3135 2c2d 3933 332e 3235 222f 266.15,-933.25\"/\n+00026860: 3e0a 3c2f 673e 0a3c 212d 2d20 6d6f 6475 >....module_src_gro\n+000268e0: 6d61 6373 5f74 6162 6c65 7326 2334 353b macs_tables-\n+000268f0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026900: 726f 6d61 6373 5f6d 6474 7970 6573 3c2f romacs_mdtypes......module_src_grom\n+00026aa0: 6163 735f 7461 626c 6573 2623 3435 3b26 acs_tables-&\n+00026ab0: 6774 3b6d 6f64 756c 655f 7372 635f 6772 gt;module_src_gr\n+00026ac0: 6f6d 6163 735f 6669 6c65 696f 3c2f 7469 omacs_fileio....\n+00026be0: 3c21 2d2d 206d 6f64 756c 655f 7372 635f ..module\n+00026c50: 5f73 7263 5f67 726f 6d61 6373 5f74 6162 _src_gromacs_tab\n+00026c60: 6c65 7326 2334 353b 2667 743b 6d6f 6475 les->modu\n+00026c70: 6c65 5f73 7263 5f67 726f 6d61 6373 5f6d le_src_gromacs_m\n+00026c80: 6473 7061 6e3c 2f74 6974 6c65 3e0a 3c70 dspan..<\n+00026dd0: 706f 6c79 676f 6e20 6669 6c6c 3d22 2332 polygon fill=\"#2\n+00026de0: 3832 6663 6322 2073 7472 6f6b 653d 2223 82fcc\" stroke=\"#\n+00026df0: 3238 3266 6363 2220 706f 696e 7473 3d22 282fcc\" points=\"\n+00026e00: 3234 3038 2e34 362c 2d33 3030 2e36 3220 2408.46,-300.62 \n+00026e10: 3234 3030 2e32 312c 2d32 3933 2e39 3620 2400.21,-293.96 \n+00026e20: 3234 3032 2e35 312c 2d33 3034 2e33 3120 2402.51,-304.31 \n+00026e30: 3234 3038 2e34 362c 2d33 3030 2e36 3222 2408.46,-300.62\"\n+00026e40: 2f3e 0a3c 2f67 3e0a 3c21 2d2d 206d 6f64 />....\n+00026e90: 6d6f 6475 6c65 5f73 7263 5f67 726f 6d61 module_src_groma\n+00026ea0: 6373 5f70 6263 7574 696c 3c2f 7469 746c cs_pbcutil</titl\n+00026eb0: 653e 0a3c 656c 6c69 7073 6520 6669 6c6c e>.<ellipse fill\n+00026ec0: 3d22 2362 6662 6662 6622 2073 7472 6f6b =\"#bfbfbf\" strok\n+00026ed0: 653d 2262 6c61 636b 2220 6378 3d22 3133 e=\"black\" cx=\"13\n+00026ee0: 3537 2e35 3622 2063 793d 222d 3937 322e 57.56\" cy=\"-972.\n+00026ef0: 3439 2220 7278 3d22 3331 2e36 3422 2072 49\" rx=\"31.64\" r\n+00026f00: 793d 2231 332e 3337 222f 3e0a 3c74 6578 y=\"13.37\"/>.<tex\n+00026f10: 7420 7465 7874 2d61 6e63 686f 723d 226d t text-anchor=\"m\n+00026f20: 6964 646c 6522 2078 3d22 3133 3537 2e35 iddle\" x=\"1357.5\n+00026f30: 3622 2079 3d22 2d39 3639 2e39 3922 2066 6\" y=\"-969.99\" f\n+00026f40: 6f6e 742d 6661 6d69 6c79 3d22 4672 6565 ont-family=\"Free\n+00026f50: 5361 6e73 2220 666f 6e74 2d73 697a 653d Sans\" font-size=\n+00026f60: 2231 302e 3030 223e 7062 6375 7469 6c3c \"10.00\">pbcutil<\n+00026f70: 2f74 6578 743e 0a3c 2f67 3e0a 3c21 2d2d /text>.</g>.<!--\n+00026f80: 206d 6f64 756c 655f 7372 635f 6772 6f6d module_src_grom\n+00026f90: 6163 735f 7062 6375 7469 6c26 2334 353b acs_pbcutil-\n+00026fa0: 2667 743b 6d6f 6475 6c65 5f73 7263 5f67 >module_src_g\n+00026fb0: 726f 6d61 6373 5f67 7075 5f75 7469 6c73 romacs_gpu_utils\n+00026fc0: 202d 2d3e 0a3c 6720 6964 3d22 6564 6765 -->.<g id=\"edge\n+00026fd0: 3235 3722 2063 6c61 7373 3d22 6564 6765 257\" class=\"edge\n+00026fe0: 223e 0a3c 7469 746c 653e 6d6f 6475 6c65 \">.<title>module\n+00026ff0: 5f73 7263 5f67 726f 6d61 6373 5f70 6263 _src_gromacs_pbc\n+00027000: 7574 696c 2623 3435 3b26 6774 3b6d 6f64 util->mod\n+00027010: 756c 655f 7372 635f 6772 6f6d 6163 735f ule_src_gromacs_\n+00027020: 6770 755f 7574 696c 733c 2f74 6974 6c65 gpu_utils</title\n+00027030: 3e0a 3c70 6174 6820 6669 6c6c 3d22 6e6f >.<path fill=\"no\n+00027040: 6e65 2220 7374 726f 6b65 3d22 2362 6662 ne\" stroke=\"#bfb\n+00027050: 6662 6622 2064 3d22 4d31 3334 312e 3833 fbf\" d=\"M1341.83\n+00027060: 2c2d 3936 302e 3643 3133 3238 2e36 392c ,-960.6C1328.69,\n+00027070: 2d39 3531 2e35 3120 3133 3039 2e37 312c -951.51 1309.71,\n+00027080: 2d39 3338 2e33 3920 3132 3934 2e35 2c2d -938.39 1294.5,-\n+00027090: 3932 372e 3837 222f 3e0a 3c70 6f6c 7967 927.87\"/>.<polyg\n+000270a0: 6f6e 2066 696c 6c3d 2223 6266 6266 6266 on fill=\"#bfbfbf\n+000270b0: 2220 7374 726f 6b65 3d22 2362 6662 6662 \" stroke=\"#bfbfb\n+000270c0: 6622 2070 6f69 6e74 733d 2231 3239 362e f\" points=\"1296.\n+000270d0: 3237 2c2d 3932 342e 3833 2031 3238 362e 27,-924.83 1286.\n+000270e0: 3035 2c2d 3932 322e 3032 2031 3239 322e 05,-922.02 1292.\n+000270f0: 3239 2c2d 3933 302e 3539 2031 3239 362e 29,-930.59 1296.\n+00027100: 3237 2c2d 3932 342e 3833 222f 3e0a 3c2f 27,-924.83\"/>.</\n+00027110: 673e 0a3c 212d 2d20 6d6f 6475 6c65 5f73 g>.<!-- module_s\n+00027120: 7263 5f67 726f 6d61 6373 5f61 7070 6c69 rc_gromacs_appli\n+00027130: 6564 5f66 6f72 6365 735f 6177 6826 2334 ed_forces_awh\n+00027140: 353b 2667 743b 6d6f 6475 6c65 5f73 7263 5;>module_src\n+00027150: 5f67 726f 6d61 6373 5f67 6d78 6c69 6220 _gromacs_gmxlib \n+00027160: 2d2d 3e0a 3c67 2069 643d 2265 6467 6532 -->.<g id=\"edge2\n+00027170: 3633 2220 636c 6173 733d 2265 6467 6522 63\" class=\"edge\"\n+00027180: 3e0a 3c74 6974 6c65 3e6d 6f64 756c 655f >.<title>module_\n+00027190: 7372 635f 6772 6f6d 6163 735f 6170 706c src_gromacs_appl\n+000271a0: 6965 645f 666f 7263 6573 5f61 7768 2623 ied_forces_awh&#\n+000271b0: 3435 3b26 6774 3b6d 6f64 756c 655f 7372 45;>module_sr\n+000271c0: 635f 6772 6f6d 6163 735f 676d 786c 6962 c_gromacs_gmxlib\n+000271d0: 3c2f 7469 746c 653e 0a3c 7061 7468 2066 ...<\n+000272b0: 2f67 3e0a 3c21 2d2d 206d 6f64 756c 655f /g>...modul\n+00027330: 655f 7372 635f 6772 6f6d 6163 735f 6170 e_src_gromacs_ap\n+00027340: 706c 6965 645f 666f 7263 6573 5f61 7768 plied_forces_awh\n+00027350: 2623 3435 3b26 6774 3b6d 6f64 756c 655f ->module_\n+00027360: 7372 635f 6772 6f6d 6163 735f 6d64 7479 src_gromacs_mdty\n+00027370: 7065 733c 2f74 6974 6c65 3e0a 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\n
\n-
\n+
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\n Legend

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

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Node colors:

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