# 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 = 0.76" @ 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 -28861.310884 79.8439 76.6281 -92.4785 -84.4942 -76.5098 -68.5254 -60.5410 -52.5566 -44.5722 -36.5878 -28.6034 -20.6190 -12.6346 -23.8549 -27.3891 -26.5734 -25.0980 -23.1003 -20.6812 -17.9192 -14.8766 -12.9374 -11.6031 -10.2383 -8.8453 -7.4261 -5.9827 -4.5169 -3.0301 -1.5240 0.0000 1.5407 3.0968 4.6671 6.2507 7.8465 9.4537 12.6985 15.9789 19.2894 0.4000 -28866.612351 50.6513 26.7246 758.7563 763.8214 768.8866 773.9517 779.0168 784.0819 789.1471 794.2122 799.2773 804.3425 809.4076 301.0235 135.3886 62.0550 40.9015 25.9144 15.3695 8.1128 3.3441 1.4323 0.4919 -0.2101 -0.6951 -0.9823 -1.0892 -1.0311 -0.8220 -0.4745 0.0000 0.5912 1.2897 2.0871 2.9755 3.9479 4.9977 7.3066 9.8603 12.6234 0.8000 -28886.031860 35.9889 -34.1234 30599.5347 30603.1335 30606.7324 30610.3313 30613.9302 30617.5291 30621.1280 30624.7269 30628.3258 30631.9246 30635.5235 1496.4294 492.6642 213.3622 144.6450 98.1276 65.8272 43.0959 27.0585 19.8443 15.8486 12.4198 9.4965 7.0252 4.9592 3.2577 1.8846 0.8081 0.0000 -0.5647 -0.9084 -1.0510 -1.0105 -0.8027 -0.4423 0.6858 2.2838 4.2776 1.2000 -28903.040663 447.3070 -44.4849 3714304016300.0000 3714304016350.0000 3714304016390.0000 3714304016440.0000 3714304016480.0000 3714304016530.0000 3714304016570.0000 3714304016620.0000 3714304016660.0000 3714304016710.0000 3714304016750.0000 2427.9295 675.1568 274.9827 183.1886 122.7429 81.6432 53.1771 33.3264 24.4557 19.5552 15.3545 11.7734 8.7430 6.2031 4.1018 2.3934 1.0379 0.0000 -0.7513 -1.2435 -1.5013 -1.5462 -1.3979 -1.0738 0.0408 1.6902 3.7869 1.6000 -28916.396111 14.5946 -53.2162 3487830.8027 3487832.2622 3487833.7216 3487835.1811 3487836.6405 3487838.1000 3487839.5594 3487841.0189 3487842.4784 3487843.9378 3487845.3973 2067.7981 638.3329 272.5920 184.7382 125.6760 84.7933 56.0150 35.6318 26.4033 21.2610 16.8204 13.0042 9.7453 6.9854 4.6732 2.7639 1.2178 0.0000 -0.9206 -1.5716 -1.9777 -2.1610 -2.1411 -1.9358 -1.0318 0.4408 2.3915 2.0000 -28936.869405 -21.1988 18.2346 11735.9234 11733.8035 11731.6836 11729.5638 11727.4439 11725.3240 11723.2041 11721.0842 11718.9644 11716.8445 11714.7246 774.2879 263.1379 110.0716 71.7992 46.0352 28.4699 16.5336 8.6029 5.3048 3.6041 2.2523 1.2130 0.4544 -0.0514 -0.3291 -0.4006 -0.2851 0.0000 0.4394 1.0193 1.7273 2.5523 3.4843 4.5141 6.8354 9.4590 12.3377 2.4000 -28963.330102 -60.3435 -82.0002 36770972.2941 36770966.2598 36770960.2254 36770954.1911 36770948.1567 36770942.1224 36770936.0880 36770930.0537 36770924.0193 36770917.9850 36770911.9506 3042.1975 883.6768 366.1380 246.1509 166.7883 112.5283 74.6454 47.9068 35.7856 29.0097 23.1333 18.0525 13.6777 9.9313 6.7458 4.0621 1.8286 0.0000 -1.4639 -2.5985 -3.4353 -4.0021 -4.3241 -4.4235 -4.0325 -2.9661 -1.3359 2.8000 -28978.538349 28.9066 -84.9610 96379785.7200 96379788.6107 96379791.5013 96379794.3920 96379797.2827 96379800.1733 96379803.0640 96379805.9546 96379808.8453 96379811.7360 96379814.6266 3623.1174 987.6140 397.8814 265.1344 178.4090 119.6911 79.0193 50.5015 37.6352 30.4624 24.2549 18.8990 14.2971 10.3646 7.0285 4.2250 1.8985 0.0000 -1.5134 -2.6796 -3.5323 -4.1013 -4.4132 -4.4916 -4.0307 -2.8639 -1.1085 3.2000 -28997.393506 162.4050 -51.9722 10076262409.0000 10076262425.2000 10076262441.5000 10076262457.7000 10076262473.9000 10076262490.2000 10076262506.4000 10076262522.7000 10076262538.9000 10076262555.1000 10076262571.4000 2842.5513 762.8118 304.4388 201.7208 134.7533 89.5468 58.3839 36.7031 27.0151 21.6577 17.0586 13.1293 9.7938 6.9863 4.6500 2.7349 1.1977 0.0000 -0.8918 -1.5074 -1.8733 -2.0129 -1.9471 -1.6948 -0.6955 0.8702 2.9090 3.6000 -29010.863525 -31.0601 -42.5131 1261994.4593 1261991.3533 1261988.2473 1261985.1413 1261982.0353 1261978.9293 1261975.8233 1261972.7172 1261969.6112 1261966.5052 1261963.3992 2301.2127 653.2665 266.1180 177.1184 118.5492 78.7670 51.2466 32.0800 23.5243 18.8011 14.7547 11.3072 8.3917 5.9501 3.9316 2.2922 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