# mdrun is part of G R O M A C S: # # Groningen Machine for Chemical Simulation # @ title "dH/d\xl\f{} and \xD\f{}H" @ xaxis label "Time (ps)" @ yaxis label "dH/d\xl\f{} and \xD\f{}H (kJ/mol [\xl\f{}]\S-1\N)" @TYPE xy @ view 0.15, 0.15, 0.75, 0.85 @ legend on @ legend box on @ legend loctype view @ legend 0.78, 0.8 @ legend length 2 @ s0 legend "Energy (kJ/mol)" @ s1 legend "dH/d\xl\f{} coul-lambda = 1.0" @ s2 legend "dH/d\xl\f{} vdw-lambda = 0.7" @ s3 legend "\xD\f{}H \xl\f{} to (0, 0)" @ s4 legend "\xD\f{}H \xl\f{} to (0.1, 0)" @ s5 legend "\xD\f{}H \xl\f{} to (0.2, 0)" @ s6 legend "\xD\f{}H \xl\f{} to (0.3, 0)" @ s7 legend "\xD\f{}H \xl\f{} to (0.4, 0)" @ s8 legend "\xD\f{}H \xl\f{} to (0.5, 0)" @ s9 legend "\xD\f{}H \xl\f{} to (0.6, 0)" @ s10 legend "\xD\f{}H \xl\f{} to (0.7, 0)" @ s11 legend "\xD\f{}H \xl\f{} to (0.8, 0)" @ s12 legend "\xD\f{}H \xl\f{} to (0.9, 0)" @ s13 legend "\xD\f{}H \xl\f{} to (1, 0)" @ s14 legend "\xD\f{}H \xl\f{} to (1, 0.1)" @ s15 legend "\xD\f{}H \xl\f{} to (1, 0.2)" @ s16 legend "\xD\f{}H \xl\f{} to (1, 0.3)" @ s17 legend "\xD\f{}H \xl\f{} to (1, 0.35)" @ s18 legend "\xD\f{}H \xl\f{} to (1, 0.4)" @ s19 legend "\xD\f{}H \xl\f{} to (1, 0.45)" @ s20 legend "\xD\f{}H \xl\f{} to (1, 0.5)" @ s21 legend "\xD\f{}H \xl\f{} to (1, 0.55)" @ s22 legend "\xD\f{}H \xl\f{} to (1, 0.58)" @ s23 legend "\xD\f{}H \xl\f{} to (1, 0.6)" @ s24 legend "\xD\f{}H \xl\f{} to (1, 0.62)" @ s25 legend "\xD\f{}H \xl\f{} to (1, 0.64)" @ s26 legend "\xD\f{}H \xl\f{} to (1, 0.66)" @ s27 legend "\xD\f{}H \xl\f{} to (1, 0.68)" @ s28 legend "\xD\f{}H \xl\f{} to (1, 0.7)" @ s29 legend "\xD\f{}H \xl\f{} to (1, 0.72)" @ s30 legend "\xD\f{}H \xl\f{} to (1, 0.74)" @ s31 legend "\xD\f{}H \xl\f{} to (1, 0.76)" @ s32 legend "\xD\f{}H \xl\f{} to (1, 0.78)" @ s33 legend "\xD\f{}H \xl\f{} to (1, 0.8)" @ s34 legend "\xD\f{}H \xl\f{} to (1, 0.82)" @ s35 legend "\xD\f{}H \xl\f{} to (1, 0.84)" @ s36 legend "\xD\f{}H \xl\f{} to (1, 0.86)" @ s37 legend "\xD\f{}H \xl\f{} to (1, 0.88)" @ s38 legend "\xD\f{}H \xl\f{} to (1, 0.92)" @ s39 legend "\xD\f{}H \xl\f{} to (1, 0.96)" @ s40 legend "\xD\f{}H \xl\f{} to (1, 1)" 0.0000 -28895.912138 79.8439 73.8287 -87.9617 -79.9773 -71.9929 -64.0085 -56.0241 -48.0397 -40.0553 -32.0709 -24.0866 -16.1022 -8.1178 -19.3380 -22.8723 -22.0566 -20.5812 -18.5835 -16.1643 -13.4024 -10.3597 -8.4206 -7.0862 -5.7214 -4.3284 -2.9093 -1.4659 0.0000 1.4867 2.9928 4.5169 6.0575 7.6136 9.1840 10.7676 12.3634 13.9706 17.2154 20.4958 23.8062 0.4000 -28907.432853 27.0401 -17.7861 17283.8014 17286.5054 17289.2095 17291.9135 17294.6175 17297.3215 17300.0255 17302.7295 17305.4335 17308.1376 17310.8416 1037.9736 328.5677 132.1670 85.3809 54.6019 33.9816 20.1226 10.9346 7.0830 5.0716 3.4451 2.1600 1.1787 0.4682 0.0000 -0.2511 -0.3071 -0.1875 0.0904 0.5113 1.0617 1.7295 2.5037 3.3747 5.3728 7.6640 10.1993 0.8000 -28930.849384 21.3777 -18.4491 34736.2749 34738.4126 34740.5504 34742.6882 34744.8259 34746.9637 34749.1015 34751.2392 34753.3770 34755.5148 34757.6525 1031.2346 316.7353 126.7775 81.9748 52.5424 32.8117 19.5209 10.6763 6.9517 4.9990 3.4137 2.1547 1.1861 0.4769 0.0000 -0.2685 -0.3494 -0.2614 -0.0206 0.3582 0.8623 1.4800 2.2009 3.0159 4.8954 7.0610 9.4658 1.2000 -28949.506391 43.0340 -53.5368 69414.3797 69418.6831 69422.9865 69427.2899 69431.5933 69435.8967 69440.2001 69444.5035 69448.8069 69453.1103 69457.4137 1645.0333 497.1129 199.4696 130.2230 84.8572 54.3467 33.5556 19.3815 13.2038 9.8586 7.0458 4.7035 2.7783 1.2239 0.0000 -0.9285 -1.5923 -2.0185 -2.2309 -2.2505 -2.0960 -1.7839 -1.3292 -0.7449 0.7660 2.6679 4.8951 1.6000 -28967.116141 11.4253 -52.9864 1255801.2552 1255802.3977 1255803.5402 1255804.6827 1255805.8253 1255806.9678 1255808.1103 1255809.2529 1255810.3954 1255811.5379 1255812.6805 1819.0696 502.3616 200.4792 131.2581 85.8148 55.1095 34.0757 19.6726 13.3816 9.9743 7.1117 4.7326 2.7840 1.2198 0.0000 -0.9106 -1.5429 -1.9242 -2.0785 -2.0274 -1.7898 -1.3827 -0.8215 -0.1198 1.6572 3.8636 6.4301 2.0000 -28994.932238 158.9660 -75.3433 8893136955310.0000 8893136955320.0000 8893136955340.0000 8893136955360.0000 8893136955370.0000 8893136955390.0000 8893136955400.0000 8893136955420.0000 8893136955440.0000 8893136955450.0000 8893136955470.0000 2653.7448 683.0096 260.4179 168.1444 109.0037 69.7909 43.2783 25.2321 17.3361 13.0361 9.3960 6.3360 3.7879 1.6928 0.0000 -1.3346 -2.3495 -3.0783 -3.5505 -3.7920 -3.8257 -3.6720 -3.3489 -2.8725 -1.5153 0.3019 2.5004 2.4000 -29015.323983 -13.6248 -65.0992 15720.6416 15719.2791 15717.9166 15716.5541 15715.1917 15713.8292 15712.4667 15711.1042 15709.7418 15708.3793 15707.0168 1419.9929 476.0639 201.8011 134.5313 89.3367 58.2562 36.6308 21.5763 14.8920 11.2252 8.1059 5.4733 3.2745 1.4635 0.0000 -1.1515 -2.0220 -2.6392 -3.0273 -3.2081 -3.2009 -3.0229 -2.6897 -2.2149 -0.8896 0.8671 2.9851 2.8000 -29029.998873 11.3897 12.2362 1308.6743 1309.8133 1310.9523 1312.0912 1313.2302 1314.3692 1315.5082 1316.6471 1317.7861 1318.9251 1320.0640 346.8316 140.7373 60.7913 39.1514 24.3116 14.1906 7.4516 3.1996 1.5759 0.8145 0.2799 -0.0502 -0.1956 -0.1736 0.0000 0.3114 0.7482 1.2993 1.9545 2.7049 3.5424 4.4595 5.4496 6.5067 8.8000 11.3010 13.9775 3.2000 -29042.793017 31.9697 -69.8703 401314.7012 401317.8982 401321.0951 401324.2921 401327.4890 401330.6860 401333.8830 401337.0799 401340.2769 401343.4739 401346.6708 1380.0512 442.0109 190.7542 128.7607 86.6199 57.2389 36.4895 21.8110 15.1985 11.5344 8.3899 5.7096 3.4452 1.5544 0.0000 -1.2507 -2.2267 -2.9538 -3.4549 -3.7505 -3.8588 -3.7963 -3.5779 -3.2168 -2.1136 -0.5701 1.3449 3.6000 -29043.113041 144.2670 -132.3750 750343.8768 750358.3036 750372.7303 750387.1570 750401.5837 750416.0104 750430.4372 750444.8639 750459.2906 750473.7173 750488.1440 2870.3004 823.0342 334.6184 222.1234 148.0020 97.5134 62.3933 37.6990 26.5423 20.3197 14.9339 10.2875 6.2965 2.8884 0.0000 -2.4237 -4.4310 -6.0640 -7.3602 -8.3525 -9.0701 -9.5390 -9.7824 -9.8209 -9.3555 -8.2698 -6.6666 4.0000 -29045.807466 13.8585 -9.3750 106551.8553 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