# 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 = 0.7"
@ s2 legend "dH/d\xl\f{} vdw-lambda = 0.0"
@ 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 -29070.657575 79.8439 -169.8430 -55.8907 -47.9063 -39.9220 -31.9376 -23.9532 -15.9688 -7.9844 0.0000 7.9844 15.9688 23.9532 12.7329 9.1987 10.0144 11.4898 13.4875 15.9066 18.6686 21.7112 23.6504 24.9848 26.3495 27.7425 29.1617 30.6051 32.0709 33.5577 35.0638 36.5878 38.1285 39.6846 41.2549 42.8385 44.4344 46.0415 49.2863 52.5667 55.8772
0.4000 -29072.938419 35.6170 -103.2700 -24.9319 -21.3702 -17.8085 -14.2468 -10.6851 -7.1234 -3.5617 0.0000 3.5617 7.1234 10.6851 5.3343 6.2081 10.3147 13.1192 16.2786 19.7184 23.3819 27.2251 29.6026 31.2135 32.8431 34.4899 36.1526 37.8299 39.5206 41.2236 42.9380 44.6627 46.3969 48.1398 49.8906 51.6487 53.4135 55.1842 58.7414 62.3162 65.9052
0.8000 -29073.077882 -1.8032 -75.6163 1.2623 1.0819 0.9016 0.7213 0.5410 0.3606 0.1803 0.0000 -0.1803 -0.3606 -0.5410 -4.2383 -2.8396 1.4008 4.2121 7.3596 10.7773 14.4138 18.2288 20.5896 22.1897 23.8088 25.4456 27.0986 28.7667 30.4487 32.1435 33.8501 35.5676 37.2951 39.0318 40.7770 42.5300 44.2901 46.0566 49.6069 53.1766 56.7621
1.2000 -29071.908955 31.7786 -90.9130 -22.2450 -19.0671 -15.8893 -12.7114 -9.5336 -6.3557 -3.1779 0.0000 3.1779 6.3557 9.5336 4.6598 5.4022 9.3199 12.0579 15.1769 18.6032 22.2790 26.1586 28.5685 30.2051 31.8637 33.5424 35.2399 36.9546 38.6853 40.4308 42.1899 43.9615 45.7447 47.5385 49.3422 51.1548 52.9757 54.8041 58.4810 62.1806 65.8988
1.6000 -29077.773414 25.3884 -75.2573 -17.7719 -15.2330 -12.6942 -10.1554 -7.6165 -5.0777 -2.5388 0.0000 2.5388 5.0777 7.6165 4.0576 5.6094 9.9148 12.7210 15.8398 19.2073 22.7742 26.5022 28.8033 30.3607 31.9350 33.5249 35.1291 36.7465 38.3761 40.0168 41.6678 43.3281 44.9971 46.6740 48.3580 50.0486 51.7452 53.4472 56.8655 60.2995 63.7462
2.0000 -29081.081879 27.4159 -108.2250 -19.1911 -16.4495 -13.7079 -10.9663 -8.2248 -5.4832 -2.7416 0.0000 2.7416 5.4832 8.2248 1.9282 1.5474 4.4275 6.6545 9.2624 12.1754 15.3352 18.6956 20.7926 22.2200 23.6689 25.1375 26.6245 28.1284 29.6480 31.1820 32.7294 34.2890 35.8601 37.4416 39.0328 40.6328 42.2410 43.8567 47.1081 50.3823 53.6754
2.4000 -29090.041166 6.6654 -55.3259 -4.6658 -3.9993 -3.3327 -2.6662 -1.9996 -1.3331 -0.6665 0.0000 0.6665 1.3331 1.9996 -0.2495 1.7821 6.1483 8.8878 11.8935 15.1105 18.4969 22.0196 24.1875 25.6524 27.1315 28.6236 30.1278 31.6429 33.1682 34.7027 36.2458 37.7966 39.3544 40.9188 42.4890 44.0646 45.6451 47.2299 50.4109 53.6045 56.8078
2.8000 -29100.035738 16.6193 -72.7881 -11.6335 -9.9716 -8.3096 -6.6477 -4.9858 -3.3239 -1.6619 0.0000 1.6619 3.3239 4.9858 1.0027 1.4282 4.3513 6.4243 8.7953 11.4060 14.2108 17.1738 19.0153 20.2661 21.5339 22.8173 24.1151 25.4263 26.7498 28.0847 29.4301 30.7852 32.1493 33.5215 34.9014 36.2882 37.6814 39.0804 41.8942 44.7257 47.5719
3.2000 -29107.684867 9.3774 -63.5101 -6.5642 -5.6265 -4.6887 -3.7510 -2.8132 -1.8755 -0.9377 0.0000 0.9377 1.8755 2.8132 -0.1310 1.2540 4.9069 7.2567 9.8510 12.6362 15.5719 18.6269 20.5067 21.7767 23.0587 24.3517 25.6548 26.9671 28.2877 29.6160 30.9512 32.2927 33.6399 34.9923 36.3494 37.7107 39.0758 40.4444 43.1901 45.9454 48.7077
3.6000 -29113.884019 15.1872 -65.0175 -10.6310 -9.1123 -7.5936 -6.0749 -4.5562 -3.0374 -1.5187 0.0000 1.5187 3.0374 4.5562 1.7619 3.6145 7.8566 10.5224 13.4407 16.5551 19.8233 23.2127 25.2939 26.6982 28.1146 29.5421 30.9796 32.4263 33.8812 35.3438 36.8131 38.2887 39.7699 41.2561 42.7469 44.2417 45.7401 47.2418 50.2532 53.2732 56.2995
4.0000 -29112.060205 7.4854 -83.8847 -5.2398 -4.4912 -3.7427 -2.9941 -2.2456 -1.4971 -0.7485 0.0000 0.7485 1.4971 2.2456 -2.4708 -2.2725 0.7223 2.9090 5.4341 8.2326 11.2540 14.4581 16.4545 17.8125 19.1903 20.5865 21.9996 23.4285 24.8719 26.3289 27.7983 29.2794 30.7711 32.2728 33.7836 35.3028 36.8297 38.3639 41.4513 44.5607 47.6885
4.4000 -29113.168864 30.4013 -116.4380 -21.2809 -18.2408 -15.2007 -12.1605 -9.1204 -6.0803 -3.0401 0.0000 3.0401 6.0803 9.1204 1.9340 0.6837 2.8116 4.7121 7.0252 9.6733 12.5954 15.7430 17.7233 19.0772 20.4557 21.8572 23.2799 24.7224 26.1833 27.6612 29.1549 30.6634 32.1854 33.7201 35.2665 36.8238 38.3910 39.9676 43.1457 46.3530 49.5849
4.8000 -29107.736983 15.8789 -64.6076 -11.1152 -9.5273 -7.9394 -6.3516 -4.7637 -3.1758 -1.5879 0.0000 1.5879 3.1758 4.7637 1.6694 2.9543 6.6146 9.0075 11.6681 14.5408 17.5826 20.7601 22.7205 24.0470 25.3875 26.7409 28.1062 29.4825 30.8687 32.2640 33.6678 35.0793 36.4978 37.9227 39.3534 40.7895 42.2304 43.6757 46.5776 49.4923 52.4170
5.2000 -29097.974008 23.3785 -89.1215 -16.3650 -14.0271 -11.6893 -9.3514 -7.0136 -4.6757 -2.3379 0.0000 2.3379 4.6757 7.0136 2.2360 2.6692 5.8174 8.0199 10.5179 13.2481 16.1628 19.2251 21.1211 22.4062 23.7065 25.0209 26.3482 27.6874 29.0374 30.3974 31.7666 33.1442 34.5294 35.9217 37.3205 38.7251 40.1351 41.5500 44.3925 47.2494 50.1179
5.6000 -29087.777790 21.0507 -59.7638 -14.7355 -12.6304 -10.5254 -8.4203 -6.3152 -4.2101 -2.1051 0.0000 2.1051 4.2101 6.3152 3.4121 4.6678 8.3129 10.7253 13.4267 16.3612 19.4848 22.7628 24.7918 26.1672 27.5590 28.9661 30.3874 31.8216 33.2679 34.7253 36.1929 37.6700 39.1557 40.6494 42.1504 43.6582 45.1721 46.6917 49.7456 52.8165 55.9010
6.0000 -29081.266361 6.8661 -53.7270 -4.8063 -4.1196 -3.4330 -2.7464 -2.0598 -1.3732 -0.6866 0.0000 0.6866 1.3732 2.0598 -0.1892 1.6449 5.7221 8.2992 11.1358 14.1793 17.3893 20.7341 22.7948 24.1882 25.5958 27.0164 28.4491 29.8929 31.3468 32.8101 34.2821 35.7619 37.2490 38.7427 40.2424 41.7477 43.2581 44.7729 47.8147 50.8698 53.9355
6.4000 -29076.551506 13.7973 -87.6984 -9.6581 -8.2784 -6.8986 -5.5189 -4.1392 -2.7595 -1.3797 0.0000 1.3797 2.7595 4.1392 -0.5065 0.2134 3.8726 6.4088 9.2861 12.4361 15.8063 19.3552 21.5563 23.0498 24.5622 26.0922 27.6384 29.1995 30.7743 32.3619 33.9611 35.5711 37.1910 38.8201 40.4575 42.1025 43.7545 45.4130 48.7468 52.0999 55.4685
6.8000 -29076.073346 25.8151 -71.4136 -18.0706 -15.4890 -12.9075 -10.3260 -7.7445 -5.1630 -2.5815 0.0000 2.5815 5.1630 7.7445 4.4059 5.9220 10.0025 12.6390 15.5557 18.6923 22.0028 25.4520 27.5761 29.0118 30.4616 31.9244 33.3989 34.8843 36.3796 37.8839 39.3964 40.9164 42.4433 43.9763 45.5149 47.0586 48.6068 50.1592 53.2744 56.4012 59.5367
7.2000 -29067.204899 32.5980 -44.0670 -22.8186 -19.5588 -16.2990 -13.0392 -9.7794 -6.5196 -3.2598 0.0000 3.2598 6.5196 9.7794 8.0679 9.9771 13.9474 16.4387 19.1773 22.1150 25.2142 28.4449 30.4362 31.7831 33.1440 34.5180 35.9038 37.3008 38.7079 40.1244 41.5496 42.9828 44.4232 45.8704 47.3238 48.7828 50.2469 51.7157 54.6658 57.6297 60.6049
7.6000 -29062.277814 23.9980 -57.0051 -16.7986 -14.3988 -11.9990 -9.5992 -7.1994 -4.7996 -2.3998 0.0000 2.3998 4.7996 7.1994 4.6713 6.3007 10.2106 12.7101 15.4702 18.4373 21.5700 24.8359 26.8486 28.2095 29.5843 30.9719 32.3712 33.7812 35.2011 36.6300 38.0673 39.5121 40.9639 42.4220 43.8859 45.3550 46.8289 48.3070 51.2746 54.2547 57.2444
8.0000 -29054.209233 21.5090 -97.4836 -15.0563 -12.9054 -10.7545 -8.6036 -6.4527 -4.3018 -2.1509 0.0000 2.1509 4.3018 6.4527 0.9530 0.9609 3.9735 6.2007 8.7755 11.6284 14.7057 17.9652 19.9941 21.3734 22.7721 24.1888 25.6220 27.0705 28.5332 30.0089 31.4967 32.9956 34.5047 36.0233 37.5506 39.0858 40.6284 42.1777 45.2941 48.4311 51.5848
8.4000 -29045.625317 46.9289 -106.5260 -32.8502 -28.1573 -23.4644 -18.7715 -14.0787 -9.3858 -4.6929 0.0000 4.6929 9.3858 14.0787 7.8555 7.4507 10.2725 12.4646 15.0355 17.9102 21.0306 24.3508 26.4234 27.8345 29.2669 30.7190 32.1894 33.6767 35.1795 36.6968 38.2273 39.7701 41.3242 42.8888 44.4630 46.0460 47.6372 49.2358 52.4529 55.6929 58.9517
8.8000 -29036.638375 19.5034 -91.8607 -13.6524 -11.7020 -9.7517 -7.8014 -5.8510 -3.9007 -1.9503 0.0000 1.9503 3.9007 5.8510 0.7063 1.0077 4.4413 6.9357 9.8130 13.0007 16.4414 20.0896 22.3625 23.9085 25.4770 27.0663 28.6748 30.3011 31.9440 33.6022 35.2744 36.9598 38.6572 40.3657 42.0845 43.8127 45.5497 47.2946 50.8058 54.3414 57.8971
9.2000 -29031.780752 34.3375 -53.2394 -24.0362 -20.6025 -17.1687 -13.7350 -10.3012 -6.8675 -3.4337 0.0000 3.4337 6.8675 10.3012 8.3050 10.6641 15.4035 18.3389 21.5438 24.9619 28.5500 32.2740 34.5624 36.1073 37.6662 39.2379 40.8213 42.4155 44.0194 45.6324 47.2534 48.8819 50.5172 52.1586 53.8055 55.4574 57.1138 58.7743 62.1054 65.4477 68.7984
9.6000 -29035.876633 34.4891 -84.6034 -24.1424 -20.6935 -17.2446 -13.7956 -10.3467 -6.8978 -3.4489 0.0000 3.4489 6.8978 10.3467 5.8146 6.4796 10.0644 12.5719 15.4293 18.5691 21.9386 25.4961 27.7067 29.2081 30.7299 32.2705 33.8285 35.4025 36.9915 38.5943 40.2098 41.8372 43.4754 45.1236 46.7811 48.4471 50.1210 51.8021 55.1834 58.5866 62.0080
10.0000 -29036.849972 25.8646 -47.0053 -18.1052 -15.5188 -12.9323 -10.3458 -7.7594 -5.1729 -2.5865 0.0000 2.5865 5.1729 7.7594 6.2389 8.8239 13.6098 16.5191 19.6725 23.0179 26.5155 30.1344 32.3537 33.8503 35.3593 36.8796 38.4102 39.9502 41.4988 43.0553 44.6188 46.1888 47.7647 49.3458 50.9317 52.5219 54.1159 55.7133 58.9168 62.1294 65.3488
10.4000 -29038.302789 24.5329 -108.7200 -17.1730 -14.7198 -12.2665 -9.8132 -7.3599 -4.9066 -2.4533 0.0000 2.4533 4.9066 7.3599 1.0134 0.5498 3.3148 5.4759 8.0141 10.8548 13.9401 17.2246 19.2755 20.6720 22.0899 23.5275 24.9834 26.4561 27.9444 29.4471 30.9632 32.4915 34.0313 35.5815 37.1414 38.7101 40.2871 41.8715 45.0605 48.2725 51.5036
10.8000 -29039.840733 22.8421 -68.7614 -15.9895 -13.7053 -11.4211 -9.1368 -6.8526 -4.5684 -2.2842 0.0000 2.2842 4.5684 6.8526 3.6426 5.2012 9.3677 12.0762 15.0857 18.3354 21.7783 25.3774 27.5994 29.1034 30.6239 32.1596 33.7092 35.2716 36.8458 38.4310 40.0261 41.6303 43.2429 44.8633 46.4906 48.1243 49.7639 51.4087 54.7122 58.0312 61.3624
11.2000 -29036.830733 16.2165 -41.2087 -11.3515 -9.7299 -8.1082 -6.4866 -4.8649 -3.2433 -1.6216 0.0000 1.6216 3.2433 4.8649 3.7012 6.4067 11.2334 14.1534 17.3158 20.6705 24.1790 27.8107 30.0387 31.5417 33.0573 34.5847 36.1227 37.6705 39.2272 40.7920 42.3643 43.9434 45.5286 47.1194 48.7152 50.3155 51.9199 53.5279 56.7532 59.9884 63.2310
11.6000 -29041.287968 16.9905 -81.7106 -11.8934 -10.1943 -8.4953 -6.7962 -5.0972 -3.3981 -1.6991 0.0000 1.6991 3.3981 5.0972 0.9443 1.9139 5.5966 8.0733 10.8511 13.8669 17.0726 20.4309 22.5066 23.9123 25.3340 26.7702 28.2199 29.6820 31.1554 32.6392 34.1326 35.6348 37.1450 38.6626 40.1869 41.7173 43.2532 44.7943 47.8896 50.9998 54.1218
12.0000 -29042.663478 27.4461 -109.3660 -19.2122 -16.4676 -13.7230 -10.9784 -8.2338 -5.4892 -2.7446 0.0000 2.7446 5.4892 8.2338 2.1484 2.1685 5.3773 7.7227 10.4177 13.3882 16.5778 19.9430 22.0318 23.4496 24.8856 26.3383 27.8064 29.2886 30.7838 32.2909 33.8089 35.3370 36.8742 38.4199 39.9732 41.5335 43.1003 44.6728 47.8331 51.0105 54.2017
12.4000 -29056.344082 24.6230 -66.2080 -17.2361 -14.7738 -12.3115 -9.8492 -7.3869 -4.9246 -2.4623 0.0000 2.4623 4.9246 7.3869 4.5079 6.3851 10.7611 13.5286 16.5681 19.8210 23.2426 26.7985 28.9850 30.4617 31.9520 33.4549 34.9693 36.4941 38.0284 39.5715 41.1225 42.6807 44.2455 45.8163 47.3925 48.9735 50.5588 52.1481 55.3368 58.5363 61.7440
12.8000 -29064.069340 20.4729 -81.3361 -14.3310 -12.2837 -10.2364 -8.1891 -6.1419 -4.0946 -2.0473 0.0000 2.0473 4.0946 6.1419 2.2378 3.6318 7.7936 10.5214 13.5560 16.8336 20.3054 23.9334 26.1724 27.6876 29.2191 30.7656 32.3259 33.8988 35.4834 37.0787 38.6838 40.2979 41.9202 43.5500 45.1867 46.8296 48.4782 50.1319 53.4529 56.7887 60.1364
13.2000 -29069.245707 21.7665 -86.3974 -15.2365 -13.0599 -10.8832 -8.7066 -6.5299 -4.3533 -2.1766 0.0000 2.1766 4.3533 6.5299 1.8059 2.3314 5.8278 8.3002 11.1239 14.2290 17.5610 21.0768 23.2601 24.7424 26.2441 27.7637 29.2999 30.8513 32.4167 33.9950 35.5852 37.1863 38.7975 40.4178 42.0466 43.6831 45.3267 46.9767 50.2937 53.6298 56.9814
13.6000 -29073.895407 14.3631 -108.9110 -10.0542 -8.6179 -7.1815 -5.7452 -4.3089 -2.8726 -1.4363 0.0000 1.4363 2.8726 4.3089 -1.8150 -1.8059 1.5025 3.9385 6.7480 9.8542 13.1983 16.7344 18.9327 20.4261 21.9397 23.4718 25.0211 26.5861 28.1657 29.7587 31.3639 32.9805 34.6075 36.2440 37.8893 39.5426 41.2031 42.8704 46.2226 49.5948 52.9831
14.0000 -29080.014541 18.4595 -100.7750 -12.9216 -11.0757 -9.2297 -7.3838 -5.5378 -3.6919 -1.8459 0.0000 1.8459 3.6919 5.5378 -0.1455 -0.1924 2.7735 4.9662 7.4964 10.2939 13.3050 16.4881 18.4666 19.8103 21.1721 22.5504 23.9440 25.3516 26.7721 28.2045 29.6478 31.1011 32.5637 34.0348 35.5135 36.9994 38.4918 39.9901 43.0023 46.0322 49.0764
14.4000 -29080.108543 1.2857 -94.0708 -0.9000 -0.7714 -0.6428 -0.5143 -0.3857 -0.2571 -0.1286 0.0000 0.1286 0.2571 0.3857 -4.7779 -4.3785 -0.9220 1.5376 4.3480 7.4372 10.7500 14.2430 16.4107 17.8819 19.3719 20.8793 22.4027 23.9408 25.4924 27.0564 28.6318 30.2177 31.8132 33.4175 35.0299 36.6496 38.2760 39.9085 43.1895 46.4885 49.8020
14.8000 -29083.937011 27.3095 -84.5234 -19.1167 -16.3857 -13.6548 -10.9238 -8.1929 -5.4619 -2.7310 0.0000 2.7310 5.4619 8.1929 3.6820 4.2525 7.5521 9.8456 12.4452 15.2871 18.3226 21.5135 23.4901 24.8302 26.1865 27.5578 28.9428 30.3404 31.7497 33.1696 34.5993 36.0380 37.4850 38.9395 40.4009 41.8687 43.3422 44.8209 47.7922 50.7791 53.7784
15.2000 -29082.640552 26.0506 -100.7670 -18.2354 -15.6304 -13.0253 -10.4202 -7.8152 -5.2101 -2.6051 0.0000 2.6051 5.2101 7.8152 2.5447 3.1338 6.6268 9.0208 11.7110 14.6300 17.7275 20.9653 22.9629 24.3142 25.6794 27.0575 28.4473 29.8476 31.2577 32.6766 34.1035 35.5376 36.9784 38.4252 39.8774 41.3345 42.7960 44.2615 47.2025 50.1546 53.1151
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