# 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 = 0.5"
@ 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 -28879.742475 79.8439 -169.8430 -39.9220 -31.9376 -23.9532 -15.9688 -7.9844 0.0000 7.9844 15.9688 23.9532 31.9376 39.9220 28.7017 25.1675 25.9831 27.4586 29.4563 31.8754 34.6374 37.6800 39.6192 40.9535 42.3183 43.7113 45.1305 46.5738 48.0397 49.5265 51.0326 52.5566 54.0973 55.6533 57.2237 58.8073 60.4031 62.0103 65.2551 68.5355 71.8460
0.4000 -28895.592668 35.9568 -93.5750 -17.9784 -14.3827 -10.7870 -7.1914 -3.5957 0.0000 3.5957 7.1914 10.7870 14.3827 17.9784 13.3438 14.4819 18.5195 21.1962 24.1787 27.4001 30.8102 34.3703 36.5656 38.0504 39.5506 41.0648 42.5919 44.1308 45.6805 47.2401 48.8087 50.3855 51.9699 53.5610 55.1584 56.7614 58.3695 59.9821 63.2194 66.4697 69.7301
0.8000 -28925.753611 53.8116 -82.7372 -26.9058 -21.5246 -16.1435 -10.7623 -5.3812 0.0000 5.3812 10.7623 16.1435 21.5246 26.9058 22.1906 22.2803 25.1380 27.2549 29.7112 32.4431 35.4001 38.5422 40.5025 41.8370 43.1916 44.5649 45.9555 47.3623 48.7839 50.2194 51.6677 53.1278 54.5990 56.0803 57.5710 59.0704 60.5778 62.0925 65.1419 68.2141 71.3054
1.2000 -28957.271819 54.4208 -116.0600 -27.2104 -21.7683 -16.3262 -10.8842 -5.4421 0.0000 5.4421 10.8842 16.3262 21.7683 27.2104 20.0365 18.7588 20.8221 22.6778 24.9386 27.5278 30.3851 33.4628 35.3989 36.7225 38.0702 39.4401 40.8308 42.2408 43.6686 45.1129 46.5727 48.0467 49.5340 51.0335 52.5444 54.0659 55.5970 57.1371 60.2417 63.3743 66.5307
1.6000 -28999.804786 39.7718 -91.4768 -19.8859 -15.9087 -11.9315 -7.9544 -3.9772 0.0000 3.9772 7.9544 11.9315 15.9087 19.8859 14.5938 14.4312 17.1623 19.2368 21.6579 24.3585 27.2862 30.3998 32.3430 33.6660 35.0090 36.3706 37.7494 39.1442 40.5537 41.9768 43.4127 44.8602 46.3185 47.7868 49.2644 50.7505 52.2444 53.7455 56.7671 59.8110 62.8734
2.0000 -29041.037086 43.7723 -67.0110 -21.8862 -17.5089 -13.1317 -8.7545 -4.3772 0.0000 4.3772 8.7545 13.1317 17.5089 21.8862 18.7601 20.2105 24.0906 26.5983 29.3739 32.3606 35.5148 38.8030 40.8289 42.1986 43.5821 44.9783 46.3860 47.8043 49.2324 50.6693 52.1144 53.5669 55.0261 56.4916 57.9626 59.4387 60.9194 62.4043 65.3848 68.3772 71.3788
2.4000 -29095.646281 30.0279 -81.9077 -15.0139 -12.0111 -9.0084 -6.0056 -3.0028 0.0000 3.0028 6.0056 9.0084 12.0111 15.0139 10.9237 12.0421 15.9160 18.4993 21.3897 24.5232 27.8510 31.3351 33.4879 34.9456 36.4197 37.9088 39.4117 40.9274 42.4547 43.9927 45.5406 47.0976 48.6628 50.2356 51.8153 53.4013 54.9930 56.5900 59.7976 63.0204 66.2554
2.8000 -29155.248596 30.8966 -101.0110 -15.4483 -12.3587 -9.2690 -6.1793 -3.0897 0.0000 3.0897 6.1793 9.2690 12.3587 15.4483 9.4571 8.9289 11.4803 13.5097 15.9071 18.6008 21.5349 24.6654 26.6229 27.9569 29.3119 30.6865 32.0792 33.4886 34.9135 36.3526 37.8050 39.2697 40.7456 42.2320 43.7280 45.2328 46.7458 48.2663 51.3274 54.4115 57.5147
3.2000 -29208.987052 33.0334 -95.6468 -16.5167 -13.2134 -9.9100 -6.6067 -3.3033 0.0000 3.3033 6.6067 9.9100 13.2134 16.5167 11.3226 11.6297 14.7932 17.0326 19.5793 22.3664 25.3433 28.4711 30.4072 31.7192 33.0467 34.3882 35.7426 37.1088 38.4857 39.8725 41.2684 42.6724 44.0839 45.5023 46.9268 48.3570 49.7923 51.2322 54.1239 57.0289 59.9443
3.6000 -29260.069300 28.3927 -53.2787 -14.1964 -11.3571 -8.5178 -5.6785 -2.8393 0.0000 2.8393 5.6785 8.5178 11.3571 14.1964 12.0806 14.0856 18.2815 20.8911 23.7418 26.7821 29.9726 33.2830 35.3165 36.6892 38.0741 39.4702 40.8766 42.2923 43.7166 45.1487 46.5880 48.0337 49.4853 50.9423 52.4041 53.8703 55.3405 56.8141 59.7705 62.7367 65.7104
4.0000 -29288.689210 37.2295 -38.4592 -18.6147 -14.8918 -11.1688 -7.4459 -3.7229 0.0000 3.7229 7.4459 11.1688 14.8918 18.6147 17.7577 20.7698 25.8637 28.9003 32.1683 35.6185 39.2131 42.9226 45.1936 46.7239 48.2658 49.8183 51.3805 52.9517 54.5308 56.1173 57.7105 59.3097 60.9143 62.5238 64.1377 65.7556 67.3770 69.0014 72.2581 75.5230 78.7936
4.4000 -29300.559088 21.6249 -54.5905 -10.8124 -8.6500 -6.4875 -4.3250 -2.1625 0.0000 2.1625 4.3250 6.4875 8.6500 10.8124 8.6034 10.6607 15.0708 17.8412 20.8836 24.1429 27.5764 31.1506 33.3513 34.8388 36.3410 37.8567 39.3850 40.9247 42.4749 44.0349 45.6036 47.1805 48.7649 50.3560 51.9533 53.5562 55.1643 56.7769 60.0143 63.2650 66.5261
4.8000 -29307.479860 41.5348 -91.9064 -20.7674 -16.6139 -12.4605 -8.3070 -4.1535 0.0000 4.1535 8.3070 12.4605 16.6139 20.7674 15.7762 16.1306 19.3152 21.5705 24.1402 26.9584 29.9750 33.1511 35.1202 36.4560 37.8083 39.1760 40.5578 41.9526 43.3592 44.7769 46.2046 47.6416 49.0870 50.5403 52.0007 53.4676 54.9405 56.4188 59.3897 62.3768 65.3770
5.2000 -29292.110150 62.1187 -101.0630 -31.0594 -24.8475 -18.6356 -12.4237 -6.2119 0.0000 6.2119 12.4237 18.6356 24.8475 31.0594 25.3901 25.4432 28.5791 30.8770 33.5234 36.4463 39.5906 42.9135 44.9786 46.3811 47.8023 49.2409 50.6953 52.1644 53.6470 55.1419 56.6483 58.1652 59.6918 61.2272 62.7707 64.3216 65.8794 67.4433 70.5877 73.7507 76.9287
5.6000 -29258.012230 38.7464 -72.3679 -19.3732 -15.4986 -11.6239 -7.7493 -3.8746 0.0000 3.8746 7.7493 11.6239 15.4986 19.3732 15.8302 17.1228 21.0851 23.7109 26.6487 29.8364 33.2259 36.7793 38.9771 40.4663 41.9728 43.4955 45.0329 46.5841 48.1478 49.7232 51.3092 52.9051 54.5100 56.1233 57.7441 59.3720 61.0062 62.6462 65.9415 69.2542 72.5808
6.0000 -29213.879191 51.5333 -86.1266 -25.7666 -20.6133 -15.4600 -10.3067 -5.1533 0.0000 5.1533 10.3067 15.4600 20.6133 25.7666 21.2235 22.0334 25.8208 28.4379 31.4069 34.6588 38.1401 41.8083 44.0847 45.6297 47.1949 48.7786 50.3794 51.9961 53.6275 55.2723 56.9297 58.5987 60.2782 61.9676 63.6660 65.3727 67.0870 68.8082 72.2693 75.7514 79.2509
6.4000 -29160.820905 54.5936 -65.4144 -27.2968 -21.8374 -16.3781 -10.9187 -5.4594 0.0000 5.4594 10.9187 16.3781 21.8374 27.2968 24.4984 26.4686 30.9665 33.8080 36.9305 40.2751 43.7968 47.4606 49.7154 51.2390 52.7773 54.3292 55.8936 57.4693 59.0555 60.6513 62.2559 63.8685 65.4885 67.1151 68.7479 70.3862 72.0295 73.6773 76.9847 80.3052 83.6357
6.8000 -29101.088540 45.9553 -81.8104 -22.9777 -18.3821 -13.7866 -9.1911 -4.5955 0.0000 4.5955 9.1911 13.7866 18.3821 22.9777 18.5859 19.2915 22.9012 25.4185 28.2831 31.4267 34.7963 38.3497 40.5555 42.0530 43.5700 45.1051 46.6568 48.2239 49.8052 51.3996 53.0061 54.6236 56.2514 57.8885 59.5343 61.1880 62.8488 64.5163 67.8688 71.2411 74.6296
7.2000 -29034.609400 68.2202 -59.6019 -34.1101 -27.2881 -20.4660 -13.6440 -6.8220 0.0000 6.8220 13.6440 20.4660 27.2881 34.1101 31.4713 33.2050 37.3605 40.0224 42.9665 46.1362 49.4877 52.9865 55.1450 56.6053 58.0813 59.5717 61.0753 62.5911 64.1182 65.6556 67.2026 68.7582 70.3220 71.8930 73.4708 75.0548 76.6443 78.2390 81.4418 84.6596 87.8895
7.6000 -28958.474849 59.9581 -183.9150 -29.9791 -23.9832 -17.9874 -11.9916 -5.9958 0.0000 5.9958 11.9916 17.9874 23.9832 29.9791 18.2644 15.1057 16.5591 18.3867 20.7444 23.5258 26.6492 30.0505 32.2033 33.6792 35.1849 36.7181 38.2768 39.8590 41.4630 43.0872 44.7300 46.3901 48.0662 49.7569 51.4613 53.1783 54.9068 56.6460 60.1531 63.6934 67.2613
8.0000 -28885.520393 47.9088 -70.2798 -23.9544 -19.1635 -14.3726 -9.5818 -4.7909 0.0000 4.7909 9.5818 14.3726 19.1635 23.9544 20.5920 22.1170 26.4067 29.2299 32.3848 35.8070 39.4462 43.2627 45.6239 47.2242 48.8434 50.4802 52.1331 53.8011 55.4829 57.1774 58.8836 60.6007 62.3278 64.0640 65.8087 67.5610 69.3204 71.0862 74.6347 78.2025 81.7858
8.4000 -28816.172626 34.5558 -63.7779 -17.2779 -13.8223 -10.3667 -6.9112 -3.4556 0.0000 3.4556 6.9112 10.3667 13.8223 17.2779 14.6286 16.7520 21.4202 24.3529 27.5699 31.0118 34.6330 38.3982 40.7145 42.2793 43.8590 45.4524 47.0584 48.6759 50.3039 51.9416 53.5881 55.2427 56.9047 58.5734 60.2482 61.9285 63.6138 65.3035 68.6948 72.0987 75.5125
8.8000 -28751.659733 31.3265 -70.4709 -15.6633 -12.5306 -9.3980 -6.2653 -3.1327 0.0000 3.1327 6.2653 9.3980 12.5306 15.6633 12.3721 13.8985 17.9939 20.6449 23.5821 26.7454 30.0890 33.5773 35.7278 37.1822 38.6516 40.1348 41.6307 43.1382 44.6564 46.1843 47.7212 49.2664 50.8190 52.3785 53.9442 55.5156 57.0921 58.6733 61.8478 65.0358 68.2344
9.2000 -28703.487545 45.5840 -108.0000 -22.7920 -18.2336 -13.6752 -9.1168 -4.5584 0.0000 4.5584 9.1168 13.6752 18.2336 22.7920 16.6706 16.5083 19.4886 21.7094 24.2739 27.1083 30.1567 33.3757 35.3747 36.7316 38.1061 39.4966 40.9019 42.3207 43.7519 45.1945 46.6474 48.1099 49.5810 51.0601 52.5464 54.0393 55.5382 57.0424 60.0652 63.1039 66.1552
9.6000 -28672.473800 21.1038 -48.0732 -10.5519 -8.4415 -6.3311 -4.2208 -2.1104 0.0000 2.1104 4.2208 6.3311 8.4415 10.5519 9.1286 11.9803 17.0452 20.0825 23.3533 26.8050 30.3979 34.1017 36.3671 37.8927 39.4292 40.9755 42.5309 44.0944 45.6653 47.2428 48.8262 50.4151 52.0088 53.6067 55.2085 56.8137 58.4218 60.0325 63.2602 66.4943 69.7326
10.0000 -28655.540271 29.5606 -51.1926 -14.7803 -11.8243 -8.8682 -5.9121 -2.9561 0.0000 2.9561 5.9121 8.8682 11.8243 14.7803 12.9767 15.4145 20.0972 22.9607 26.0693 29.3702 32.8229 36.3963 38.5878 40.0657 41.5559 43.0573 44.5688 46.0895 47.6188 49.1557 50.6997 52.2499 53.8060 55.3672 56.9330 58.5031 60.0769 61.6541 64.8168 67.9886 71.1669
10.4000 -28662.360921 40.1973 -103.2010 -20.0987 -16.0789 -12.0592 -8.0395 -4.0197 0.0000 4.0197 8.0395 12.0592 16.0789 20.0987 14.2342 14.1427 17.1896 19.4628 22.0964 25.0175 28.1702 31.5106 33.5901 35.0038 36.4375 37.8896 39.3586 40.8433 42.3425 43.8551 45.3799 46.9162 48.4629 50.0192 51.5844 53.1577 54.7386 56.3262 59.5198 62.7341 65.9655
10.8000 -28686.369001 21.0204 -86.5655 -10.5102 -8.4082 -6.3061 -4.2041 -2.1020 0.0000 2.1020 4.2041 6.3061 8.4082 10.5102 6.2073 7.3536 11.3003 13.9131 16.8229 19.9644 23.2879 26.7557 28.8931 30.3382 31.7980 33.2710 34.7563 36.2526 37.7591 39.2748 40.7989 42.3307 43.8695 45.4145 46.9653 48.5212 50.0817 51.6464 54.7865 57.9383 61.0988
11.2000 -28729.081453 33.5530 -78.5499 -16.7765 -13.4212 -10.0659 -6.7106 -3.3553 0.0000 3.3553 6.7106 10.0659 13.4212 16.7765 12.9634 14.2876 18.3262 20.9803 23.9351 27.1271 30.5084 34.0414 36.2216 37.6967 39.1877 40.6931 42.2118 43.7428 45.2849 46.8373 48.3991 49.9696 51.5480 53.1335 54.7257 56.3238 57.9273 59.5358 62.7656 66.0098 69.2652
11.6000 -28788.847208 35.6048 -50.2962 -17.8024 -14.2419 -10.6815 -7.1210 -3.5605 0.0000 3.5605 7.1210 10.6815 14.2419 17.8024 16.0831 18.5828 23.2959 26.1621 29.2655 32.5535 35.9862 39.5329 41.7055 43.1697 44.6453 46.1311 47.6263 49.1300 50.6415 52.1599 53.6846 55.2150 56.7505 58.2906 59.8348 61.3827 62.9337 64.4876 67.6025 70.7248 73.8520
12.0000 -28853.762016 32.5696 -68.6590 -16.2848 -13.0278 -9.7709 -6.5139 -3.2570 0.0000 3.2570 6.5139 9.7709 13.0278 16.2848 13.1411 14.7425 18.8414 21.4692 24.3679 27.4785 30.7563 34.1668 36.2653 37.6829 39.1140 40.5574 42.0119 43.4767 44.9508 46.4334 47.9238 49.4211 50.9248 52.4343 53.9490 55.4684 56.9920 58.5194 61.5837 64.6585 67.7411
12.4000 -28927.702042 30.8942 -86.0897 -15.4471 -12.3577 -9.2683 -6.1788 -3.0894 0.0000 3.0894 6.1788 9.2683 12.3577 15.4471 10.9748 11.7910 15.4261 17.9079 20.7061 23.7551 27.0050 30.4169 32.5287 33.9600 35.4083 36.8722 38.3506 39.8422 41.3461 42.8612 44.3867 45.9216 47.4653 49.0170 50.5760 52.1417 53.7135 55.2909 58.4604 61.6464 64.8458
12.8000 -29002.173288 15.0843 -57.8324 -7.5422 -6.0337 -4.5253 -3.0169 -1.5084 0.0000 1.5084 3.0169 4.5253 6.0337 7.5422 5.2931 7.5905 12.3139 15.2432 18.4404 21.8480 25.4224 29.1295 31.4062 32.9428 34.4928 36.0553 37.6290 39.2130 40.8064 42.4084 44.0182 45.6350 47.2583 48.8874 50.5217 52.1607 53.8039 55.4509 58.7544 62.0681 65.3894
13.2000 -29071.098790 29.6947 -121.9910 -14.8473 -11.8779 -8.9084 -5.9389 -2.9695 0.0000 2.9695 5.9389 8.9084 11.8779 14.8473 7.4687 6.5083 9.1737 11.3958 14.0529 17.0610 20.3548 23.8823 26.0933 27.6019 29.1359 30.6932 32.2722 33.8713 35.4891 37.1241 38.7751 40.4409 42.1204 43.8125 45.5163 47.2309 48.9554 50.6891 54.1811 57.7015 61.2455
13.6000 -29136.846432 23.8944 -94.1683 -11.9472 -9.5578 -7.1683 -4.7789 -2.3894 0.0000 2.3894 4.7789 7.1683 9.5578 11.9472 6.7262 7.1391 10.7677 13.3751 16.3715 19.6820 23.2482 27.0235 29.3732 30.9705 32.5904 34.2312 35.8912 37.5691 39.2636 40.9733 42.6972 44.4341 46.1831 47.9431 49.7134 51.4931 53.2815 55.0777 58.6914 62.3293 65.9871
14.0000 -29186.326308 42.1456 -99.3544 -21.0728 -16.8582 -12.6437 -8.4291 -4.2146 0.0000 4.2146 8.4291 12.6437 16.8582 21.0728 15.5095 15.7400 19.2005 21.7110 24.5977 27.7848 31.2134 34.8374 37.0899 38.6199 40.1705 41.7400 43.3269 44.9299 46.5478 48.1792 49.8231 51.4785 53.1445 54.8202 56.5047 58.1973 59.8973 61.6041 65.0354 68.4868 71.9544
14.4000 -29224.857504 10.8747 -56.4234 -5.4374 -4.3499 -3.2624 -2.1749 -1.0875 0.0000 1.0875 2.1749 3.2624 4.3499 5.4374 3.2698 5.5479 10.1900 13.0649 16.2016 19.5449 23.0524 26.6910 28.9262 30.4350 31.9573 33.4919 35.0378 36.5941 38.1598 39.7342 41.3165 42.9060 44.5020 46.1040 47.7113 49.3235 50.9400 52.5605 55.8115 59.0734 62.3436
14.8000 -29256.615207 40.3584 -100.7140 -20.1792 -16.1434 -12.1075 -8.0717 -4.0358 0.0000 4.0358 8.0717 12.1075 16.1434 20.1792 14.1319 13.6127 16.3578 18.5557 21.1655 24.1119 27.3350 30.7870 32.9515 34.4288 35.9312 37.4571 39.0047 40.5725 42.1591 43.7631 45.3833 47.0185 48.6676 50.3297 52.0037 53.6888 55.3841 57.0889 60.5240 63.9886 67.4780
15.2000 -29286.780786 27.0989 -72.2279 -13.5494 -10.8395 -8.1297 -5.4198 -2.7099 0.0000 2.7099 5.4198 8.1297 10.8395 13.5494 9.8195 10.7324 14.2561 16.6549 19.3637 22.3217 25.4815 28.8056 30.8661 32.2639 33.6793 35.1109 36.5574 38.0177 39.4909 40.9758 42.4715 43.9773 45.4923 47.0157 48.5470 50.0854 51.6303 53.1813 56.2990 59.4348 62.5853
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