# 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 = 0.9"
@ 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 -28979.490001 79.8439 -169.8430 -71.8595 -63.8751 -55.8907 -47.9063 -39.9220 -31.9376 -23.9532 -15.9688 -7.9844 0.0000 7.9844 -3.2358 -6.7701 -5.9544 -4.4790 -2.4813 -0.0622 2.6998 5.7424 7.6816 9.0160 10.3808 11.7738 13.1929 14.6363 16.1022 17.5889 19.0950 20.6190 22.1597 23.7158 25.2862 26.8697 28.4656 30.0727 33.3175 36.5979 39.9084
0.4000 -28988.981187 32.5187 -73.8526 -29.2668 -26.0149 -22.7631 -19.5112 -16.2593 -13.0075 -9.7556 -6.5037 -3.2519 0.0000 3.2519 -0.3318 0.9568 4.8386 7.3869 10.2225 13.2846 16.5270 19.9137 22.0029 23.4163 24.8446 26.2866 27.7411 29.2072 30.6837 32.1699 33.6650 35.1681 36.6786 38.1958 39.7191 41.2480 42.7819 44.3204 47.4093 50.5112 53.6234
0.8000 -29004.348226 12.5860 -52.1349 -11.3274 -10.0688 -8.8102 -7.5516 -6.2930 -5.0344 -3.7758 -2.5172 -1.2586 0.0000 1.2586 -0.8917 0.9638 5.0063 7.5473 10.3362 13.3214 16.4633 19.7309 21.7413 23.0996 24.4709 25.8542 27.2484 28.6526 30.0660 31.4878 32.9173 34.3538 35.7968 37.2455 38.6996 40.1585 41.6217 43.0888 46.0332 48.9887 51.9528
1.2000 -29023.203385 31.4445 -72.1027 -28.3001 -25.1556 -22.0112 -18.8667 -15.7223 -12.5778 -9.4334 -6.2889 -3.1445 0.0000 3.1445 -0.5313 0.3869 3.8004 6.0998 8.6819 11.4882 14.4738 17.6035 19.5387 20.8496 22.1755 23.5153 24.8677 26.2318 27.6066 28.9912 30.3849 31.7869 33.1965 34.6130 36.0359 37.4645 38.8984 40.3371 43.2271 46.1313 49.0467
1.6000 -29045.542033 22.7766 -95.5814 -20.4989 -18.2213 -15.9436 -13.6659 -11.3883 -9.1106 -6.8330 -4.5553 -2.2777 0.0000 2.2777 -2.8491 -2.4440 0.8170 3.1068 5.7064 8.5500 11.5875 14.7806 16.7582 18.0989 19.4558 20.8275 22.2129 23.6109 25.0204 26.4405 27.8704 29.3092 30.7562 32.2108 33.6722 35.1399 36.6134 38.0921 41.0632 44.0499 47.0491
2.0000 -29065.163549 15.1849 -89.0205 -13.6664 -12.1479 -10.6294 -9.1109 -7.5925 -6.0740 -4.5555 -3.0370 -1.5185 0.0000 1.5185 -3.3411 -2.9267 0.3982 2.7655 5.4750 8.4594 11.6664 15.0547 17.1608 18.5915 20.0417 21.5098 22.9945 24.4946 26.0089 27.5362 29.0757 30.6263 32.1872 33.7576 35.3367 36.9239 38.5184 40.1196 43.3401 46.5810 49.8388
2.4000 -29080.107677 22.0657 -59.1996 -19.8591 -17.6526 -15.4460 -13.2394 -11.0329 -8.8263 -6.6197 -4.4131 -2.2066 0.0000 2.2066 -0.3164 1.7014 6.2957 9.2263 12.4670 15.9578 19.6521 23.5126 25.8959 27.5093 29.1405 30.7882 32.4512 34.1283 35.8183 37.5204 39.2336 40.9569 42.6897 44.4311 46.1804 47.9370 49.7002 51.4695 55.0241 58.5968 62.1841
2.8000 -29099.155016 22.3259 -41.0045 -20.0933 -17.8607 -15.6281 -13.3955 -11.1629 -8.9304 -6.6978 -4.4652 -2.2326 0.0000 2.2326 1.1496 3.9334 8.7610 11.6480 14.7559 18.0361 21.4518 24.9742 27.1294 28.5810 30.0433 31.5153 32.9961 34.4848 35.9808 37.4833 38.9917 40.5055 42.0241 43.5469 45.0736 46.6037 48.1367 49.6725 52.7504 55.8350 58.9242
3.2000 -29119.978549 16.1841 -87.8848 -14.5657 -12.9473 -11.3289 -9.7105 -8.0921 -6.4737 -4.8552 -3.2368 -1.6184 0.0000 1.6184 -3.0158 -2.3745 1.0538 3.4205 6.0967 9.0175 12.1337 15.4069 17.4334 18.8071 20.1971 21.6022 23.0213 24.4531 25.8966 27.3509 28.8151 30.2885 31.7702 33.2595 34.7558 36.2586 37.7671 39.2810 42.3227 45.3801 48.4502
3.6000 -29136.313609 3.6959 -82.9897 -3.3264 -2.9568 -2.5872 -2.2176 -1.8480 -1.4784 -1.1088 -0.7392 -0.3696 0.0000 0.3696 -4.2036 -3.8851 -0.8670 1.2915 3.7630 6.4844 9.4069 12.4923 14.4088 15.7102 17.0288 18.3633 19.7125 21.0752 22.4503 23.8369 25.2341 26.6411 28.0570 29.4811 30.9128 32.3514 33.7964 35.2472 38.1641 41.0986 44.0474
4.0000 -29150.618176 3.4900 -82.0222 -3.1410 -2.7920 -2.4430 -2.0940 -1.7450 -1.3960 -1.0470 -0.6980 -0.3490 0.0000 0.3490 -3.9094 -3.0731 0.5247 2.9819 5.7550 8.7796 12.0063 15.3965 17.4959 18.9193 20.3599 21.8163 23.2874 24.7720 26.2690 27.7774 29.2963 30.8248 32.3623 33.9079 35.4609 37.0208 38.5870 40.1588 43.3174 46.4930 49.6823
4.4000 -29154.896059 14.4743 -67.7430 -13.0269 -11.5794 -10.1320 -8.6846 -7.2371 -5.7897 -4.3423 -2.8949 -1.4474 0.0000 1.4474 -1.7504 -0.3710 3.4325 5.8987 8.6304 11.5707 14.6762 17.9134 19.9078 21.2560 22.6177 23.9918 25.3771 26.7728 28.1779 29.5917 31.0134 32.4422 33.8776 35.3190 36.7658 38.2175 39.6736 41.1337 44.0642 47.0060 49.9565
4.8000 -29162.853532 18.0488 -72.4714 -16.2439 -14.4390 -12.6341 -10.8293 -9.0244 -7.2195 -5.4146 -3.6098 -1.8049 0.0000 1.8049 -1.8038 -0.6883 2.9869 5.4309 8.1638 11.1255 14.2700 17.5613 19.5944 20.9709 22.3626 23.7684 25.1870 26.6175 28.0588 29.5101 30.9704 32.4392 33.9156 35.3989 36.8886 38.3842 39.8850 41.3905 44.4141 47.4517 50.5002
5.2000 -29159.856887 -5.8175 -51.3137 5.2357 4.6540 4.0722 3.4905 2.9087 2.3270 1.7452 1.1635 0.5817 0.0000 -0.5817 -2.5153 -0.3399 4.0200 6.7092 9.6378 12.7544 16.0195 19.4029 21.4796 22.8807 24.2938 25.7179 27.1521 28.5954 30.0471 31.5064 32.9727 34.4453 35.9235 37.4070 38.8951 40.3875 41.8836 43.3832 46.3908 49.4078 52.4317
5.6000 -29165.426755 14.6658 -58.7545 -13.1992 -11.7326 -10.2660 -8.7995 -7.3329 -5.8663 -4.3997 -2.9332 -1.4666 0.0000 1.4666 -0.9630 1.0349 5.3949 8.1281 11.1228 14.3232 17.6868 21.1808 23.3287 24.7791 26.2429 27.7188 29.2060 30.7033 32.2100 33.7252 35.2482 36.7782 38.3147 39.8570 41.4046 42.9570 44.5136 46.0741 49.2050 52.3465 55.4962
6.0000 -29165.094709 28.4224 -88.3244 -25.5802 -22.7379 -19.8957 -17.0534 -14.2112 -11.3690 -8.5267 -5.6845 -2.8422 0.0000 2.8422 -1.5452 -0.5089 3.2052 5.6549 8.3734 11.2984 14.3830 17.5923 19.5662 20.8992 22.2444 23.6007 24.9671 26.3426 27.7263 29.1176 30.5156 31.9197 33.3293 34.7438 36.1628 37.5858 39.0122 40.4418 43.3089 46.1843 49.0657
6.4000 -29154.281236 17.6704 -107.5350 -15.9033 -14.1363 -12.3693 -10.6022 -8.8352 -7.0681 -5.3011 -3.5341 -1.7670 0.0000 1.7670 -4.3312 -4.5000 -1.5399 0.6689 3.2211 6.0436 9.0809 12.2899 14.2834 15.6370 17.0083 18.3959 19.7985 21.2149 22.6438 24.0844 25.5355 26.9964 28.4661 29.9440 31.4294 32.9215 34.4198 35.9237 38.9462 41.9853 45.0377
6.8000 -29136.403126 -13.3323 -88.4506 11.9991 10.6659 9.3326 7.9994 6.6662 5.3329 3.9997 2.6665 1.3332 0.0000 -1.3332 -6.0267 -5.4699 -2.1689 0.1172 2.7018 5.5211 8.5265 11.6806 13.6320 14.9541 16.2916 17.6432 19.0077 20.3840 21.7712 23.1684 24.5747 25.9894 27.4117 28.8410 30.2767 31.7182 33.1650 34.6166 37.5323 40.4620 43.4029
7.2000 -29124.940628 29.9715 -80.0148 -26.9744 -23.9772 -20.9801 -17.9829 -14.9858 -11.9886 -8.9915 -5.9943 -2.9972 0.0000 2.9972 -1.1761 -0.2655 3.4970 6.0719 8.9835 12.1653 15.5653 19.1425 21.3601 22.8644 24.3875 25.9280 27.4846 29.0560 30.6410 32.2386 33.8477 35.4676 37.0973 38.7359 40.3829 42.0374 43.6988 45.3666 48.7189 52.0901 55.4766
7.6000 -29110.632833 15.9318 -105.0940 -14.3387 -12.7455 -11.1523 -9.5591 -7.9659 -6.3727 -4.7796 -3.1864 -1.5932 0.0000 1.5932 -4.1825 -4.0426 -0.8536 1.4417 4.0647 6.9446 10.0277 13.2730 15.2842 16.6481 18.0287 19.4246 20.8344 22.2571 23.6917 25.1370 26.5922 28.0564 29.5290 31.0091 32.4961 33.9894 35.4884 36.9926 40.0145 43.0517 46.1009
8.0000 -29087.180835 27.8751 -78.6391 -25.0876 -22.3001 -19.5125 -16.7250 -13.9375 -11.1500 -8.3625 -5.5750 -2.7875 0.0000 2.7875 -1.0248 0.2704 4.2306 6.8284 9.7166 12.8333 16.1312 19.5740 21.6970 23.1329 24.5838 26.0483 27.5254 29.0139 30.5129 32.0216 33.5391 35.0646 36.5975 38.1370 39.6827 41.2338 42.7900 44.3506 47.4836 50.6295 53.7855
8.4000 -29055.532415 9.3681 -140.3240 -8.4313 -7.4945 -6.5576 -5.6208 -4.6840 -3.7472 -2.8104 -1.8736 -0.9368 0.0000 0.9368 -7.3741 -8.6298 -6.2582 -4.2292 -1.8004 0.9456 3.9457 7.1512 9.1568 10.5238 11.9125 13.3213 14.7486 16.1931 17.6533 19.1282 20.6166 22.1174 23.6297 25.1526 26.6853 28.2269 29.7768 31.3343 34.4695 37.6280 40.8058
8.8000 -29028.142594 4.1383 -43.8498 -3.7245 -3.3107 -2.8968 -2.4830 -2.0692 -1.6553 -1.2415 -0.8277 -0.4138 0.0000 0.4138 -0.8962 1.7824 6.6148 9.5390 12.7040 16.0591 19.5653 23.1919 25.4156 26.9152 28.4271 29.9502 31.4837 33.0266 34.5781 36.1375 37.7040 39.2769 40.8558 42.4399 44.0289 45.6222 47.2193 48.8199 52.0299 55.2492 58.4755
9.2000 -29004.989958 9.4623 -105.0140 -8.5161 -7.5698 -6.6236 -5.6774 -4.7312 -3.7849 -2.8387 -1.8925 -0.9462 0.0000 0.9462 -5.0717 -5.2745 -2.2966 -0.0411 2.5860 5.5116 8.6791 12.0441 14.1429 15.5712 17.0207 18.4900 19.9775 21.4819 23.0020 24.5365 26.0844 27.6447 29.2165 30.7988 32.3909 33.9920 35.6014 37.2185 40.4730 43.7511 47.0487
9.6000 -28975.676479 19.5520 -93.3486 -17.5968 -15.6416 -13.6864 -11.7312 -9.7760 -7.8208 -5.8656 -3.9104 -1.9552 0.0000 1.9552 -2.8660 -2.0626 1.6325 4.1440 6.9662 10.0317 13.2898 16.7012 18.8088 20.2356 21.6781 23.1351 24.6052 26.0875 27.5808 29.0843 30.5970 32.1182 33.6471 35.1830 36.7254 38.2736 39.8270 41.3852 44.5139 47.6562 50.8093
10.0000 -28950.878193 14.9361 -70.7447 -13.4425 -11.9489 -10.4553 -8.9617 -7.4680 -5.9744 -4.4808 -2.9872 -1.4936 0.0000 1.4936 -1.8647 -0.3717 3.7823 6.4973 9.5193 12.7860 16.2494 19.8718 22.1088 23.6232 25.1543 26.7008 28.2615 29.8352 31.4209 33.0176 34.6245 36.2407 37.8654 39.4979 41.1375 42.7836 44.4357 46.0931 49.4220 52.7668 56.1241
10.4000 -28924.042770 25.5102 -133.5540 -22.9592 -20.4082 -17.8572 -15.3061 -12.7551 -10.2041 -7.6531 -5.1020 -2.5510 0.0000 2.5510 -5.5593 -6.8777 -4.4944 -2.4151 0.0920 2.9415 6.0670 9.4168 11.5169 12.9497 14.4065 15.8853 17.3846 18.9028 20.4384 21.9901 23.5567 25.1370 26.7300 28.3347 29.9501 31.5755 33.2100 34.8529 38.1610 41.4948 44.8498
10.8000 -28899.701482 22.1246 -83.9819 -19.9122 -17.6997 -15.4873 -13.2748 -11.0623 -8.8499 -6.6374 -4.4249 -2.2125 0.0000 2.2125 -1.9104 -0.6230 3.5183 6.2583 9.3161 12.6257 16.1364 19.8090 22.0769 23.6122 25.1644 26.7321 28.3140 29.9091 31.5163 33.1345 34.7628 36.4005 38.0467 39.7006 41.3617 43.0292 44.7027 46.3814 49.7529 53.1400 56.5393
11.2000 -28881.358190 33.0273 -91.6854 -29.7245 -26.4218 -23.1191 -19.8164 -16.5136 -13.2109 -9.9082 -6.6055 -3.3027 0.0000 3.3027 -1.6752 -1.2415 2.1030 4.4618 7.1467 10.0895 13.2379 16.5513 18.6050 19.9978 21.4077 22.8334 24.2736 25.7270 27.1926 28.6694 30.1565 31.6530 33.1580 34.6710 36.1911 37.7178 39.2504 40.7884 43.8787 46.9848 50.1036
11.6000 -28870.370641 11.8213 -61.4604 -10.6391 -9.4570 -8.2749 -7.0928 -5.9106 -4.7285 -3.5464 -2.3643 -1.1821 0.0000 1.1821 -1.7226 -0.3240 3.4931 5.9922 8.7793 11.7983 15.0055 18.3662 20.4446 21.8527 23.2774 24.7173 26.1713 27.6383 29.1174 30.6076 32.1081 33.6180 35.1367 36.6634 38.1975 39.7384 41.2856 42.8384 45.9592 49.0973 52.2494
12.0000 -28870.879887 20.0260 -187.0760 -18.0234 -16.0208 -14.0182 -12.0156 -10.0130 -8.0104 -6.0078 -4.0052 -2.0026 0.0000 2.0026 -10.1191 -13.9357 -13.3462 -12.0063 -10.1644 -7.9215 -5.3550 -2.5254 -0.7217 0.5194 1.7887 3.0842 4.4038 5.7458 7.1085 8.4904 9.8901 11.3063 12.7377 14.1832 15.6418 17.1124 18.5942 20.0864 23.0984 26.1428 29.2144
12.4000 -28870.319073 25.2125 -107.8020 -22.6912 -20.1700 -17.6487 -15.1275 -12.6062 -10.0850 -7.5637 -5.0425 -2.5212 0.0000 2.5212 -3.7568 -4.2809 -1.7362 0.2599 2.6009 5.2157 8.0501 11.0615 12.9393 14.2168 15.5130 16.8265 18.1558 19.4997 20.8572 22.2271 23.6085 25.0005 26.4022 27.8128 29.2317 30.6581 32.0915 33.5312 36.4275 39.3431 42.2745
12.8000 -28880.627145 32.3418 -88.1383 -29.1076 -25.8734 -22.6392 -19.4051 -16.1709 -12.9367 -9.7025 -6.4684 -3.2342 0.0000 3.2342 -1.4515 -0.9762 2.1484 4.3156 6.7641 9.4319 12.2725 15.2502 17.0908 18.3372 19.5975 20.8706 22.1553 23.4507 24.7559 26.0700 27.3922 28.7219 30.0583 31.4010 32.7492 34.1025 35.4604 36.8224 39.5573 42.3041 45.0602
13.2000 -28887.329558 19.9566 -67.3493 -17.9609 -15.9653 -13.9696 -11.9739 -9.9783 -7.9826 -5.9870 -3.9913 -1.9957 0.0000 1.9957 -1.1767 0.1312 3.7586 6.1046 8.6988 11.4869 14.4277 17.4897 19.3747 20.6484 21.9344 23.2317 24.5393 25.8563 27.1818 28.5153 29.8558 31.2029 32.5559 33.9143 35.2775 36.6452 38.0168 39.3921 42.1518 44.9216 47.6991
13.6000 -28898.115841 25.6218 -86.3031 -23.0596 -20.4974 -17.9352 -15.3731 -12.8109 -10.2487 -7.6865 -5.1244 -2.5622 0.0000 2.5622 -1.8474 -1.0021 2.5210 4.8902 7.5404 10.4092 13.4496 16.6256 18.5845 19.9094 21.2481 22.5992 23.9618 25.3348 26.7174 28.1086 29.5078 30.9141 32.3270 33.7459 35.1702 36.5993 38.0329 39.4704 42.3556 45.2520 48.1571
14.0000 -28925.389239 2.4721 -104.9920 -2.2249 -1.9777 -1.7305 -1.4833 -1.2361 -0.9889 -0.7416 -0.4944 -0.2472 0.0000 0.2472 -5.7879 -6.1166 -3.3917 -1.3052 1.1281 3.8381 6.7707 9.8838 11.8242 13.1441 14.4833 15.8403 17.2136 18.6021 20.0046 21.4201 22.8474 24.2859 25.7345 27.1924 28.6591 30.1336 31.6155 33.1041 36.0992 39.1148 42.1474
14.4000 -28957.232382 23.3057 -76.9587 -20.9752 -18.6446 -16.3140 -13.9834 -11.6529 -9.3223 -6.9917 -4.6611 -2.3306 0.0000 2.3306 -1.4264 -0.2126 3.5905 6.0894 8.8677 11.8648 15.0346 18.3416 20.3799 21.7582 23.1504 24.5554 25.9721 27.3995 28.8366 30.2827 31.7368 33.1984 34.6667 36.1411 37.6210 39.1060 40.5955 42.0890 45.0865 48.0956 51.1134
14.8000 -28982.860155 13.0962 -92.3638 -11.7865 -10.4769 -9.1673 -7.8577 -6.5481 -5.2385 -3.9288 -2.6192 -1.3096 0.0000 1.3096 -3.8834 -3.9568 -1.3520 0.5703 2.7835 5.2251 7.8477 10.6147 12.3321 13.4977 14.6781 15.8722 17.0789 18.2970 19.5258 20.7642 22.0116 23.2671 24.5300 25.7999 27.0759 28.3577 29.6447 30.9364 33.5323 36.1423 38.7636
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