# 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"
@ s3 legend "\xD\f{}H \xl\f{} to (0, 0)"
@ s4 legend "\xD\f{}H \xl\f{} to (0.2, 0)"
@ s5 legend "\xD\f{}H \xl\f{} to (0.5, 0)"
@ s6 legend "\xD\f{}H \xl\f{} to (1, 0)"
@ s7 legend "\xD\f{}H \xl\f{} to (1, 0.3)"
@ s8 legend "\xD\f{}H \xl\f{} to (1, 0.5)"
@ s9 legend "\xD\f{}H \xl\f{} to (1, 0.65)"
@ s10 legend "\xD\f{}H \xl\f{} to (1, 0.75)"
@ s11 legend "\xD\f{}H \xl\f{} to (1, 0.85)"
@ s12 legend "\xD\f{}H \xl\f{} to (1, 0.9)"
@ s13 legend "\xD\f{}H \xl\f{} to (1, 1)"
0.0000 -29003.534464 79.8439 -169.8430 -39.9220 -23.9532 0.0000 39.9220 25.9831 34.6374 44.4177 51.7924 59.6038 63.6279 71.8460
1.0000 -29026.531718 39.6565 -83.1033 -19.8283 -11.8970 0.0000 19.8283 20.8342 32.7859 43.5186 51.0961 58.8738 62.8131 70.7566
2.0000 -29070.790632 41.6803 -195.9930 -20.8402 -12.5041 0.0000 20.8402 4.7559 13.1345 22.5980 29.7043 37.2097 41.0691 48.9388
3.0000 -29108.760086 58.4360 -108.7880 -29.2180 -17.5308 0.0000 29.2180 24.7396 34.5680 44.1363 51.0711 58.2835 61.9633 69.4255
4.0000 -29127.241295 31.5299 -41.6875 -15.7649 -9.4590 0.0000 15.7649 22.1395 35.1612 46.4004 54.2477 62.2606 66.3077 74.4518
5.0000 -29146.613760 18.0953 -65.5312 -9.0477 -5.4286 0.0000 9.0477 11.2646 23.3180 34.2604 42.0362 50.0489 54.1168 62.3356
6.0000 -29139.792186 34.0136 -90.9924 -17.0068 -10.2041 0.0000 17.0068 13.8403 23.7219 33.3824 40.4074 47.7289 51.4691 59.0615
7.0000 -29115.637888 57.1365 -62.9024 -28.5683 -17.1410 0.0000 28.5683 31.6174 43.6793 54.4108 61.9782 69.7440 73.6772 81.6089
8.0000 -29097.456699 41.4119 -35.6923 -20.7059 -12.4236 0.0000 20.7059 28.3876 42.1382 53.8989 62.0824 70.4228 74.6306 83.0897
9.0000 -29096.951065 47.4711 -64.4500 -23.7356 -14.2413 0.0000 23.7356 26.2986 38.4910 49.4908 57.2885 65.3130 69.3838 77.6031
10.0000 -29097.572546 41.4448 -44.7297 -20.7224 -12.4334 0.0000 20.7224 26.8130 39.5012 50.3484 57.8836 65.5540 69.4209 77.1903
11.0000 -29076.630302 28.6513 -95.5832 -14.3257 -8.5954 0.0000 14.3257 11.8215 22.5276 32.7462 40.1133 47.7564 51.6508 59.5396
12.0000 -29072.587925 13.1893 -52.4898 -6.5947 -3.9568 0.0000 6.5947 12.1278 25.1610 36.3852 44.2022 52.1698 56.1892 64.2691
13.0000 -29099.800722 20.2263 -74.2006 -10.1131 -6.0679 0.0000 10.1131 12.4815 25.0627 36.3059 44.2435 52.3940 56.5234 64.8529
14.0000 -29143.278949 19.7759 -53.2035 -9.8880 -5.9328 0.0000 9.8880 14.8741 27.0851 37.5174 44.7499 52.1010 55.8031 63.2349
15.0000 -29176.268695 22.9748 -33.6401 -11.4874 -6.8924 0.0000 11.4874 19.1038 32.5448 44.0567 52.0771 60.2590 64.3894 72.6980
16.0000 -29166.180917 28.0869 -61.9861 -14.0435 -8.4261 0.0000 14.0435 17.0980 29.2167 40.0331 47.6702 55.5126 59.4862 67.5018
17.0000 -29089.379528 34.1157 -118.6830 -17.0579 -10.2347 0.0000 17.0579 11.0554 20.6124 30.0902 36.9874 44.1715 47.8393 55.2799
18.0000 -28971.525443 31.7615 -82.4510 -15.8808 -9.5285 0.0000 15.8808 16.2734 27.8940 38.4875 46.0084 53.7500 57.6770 65.6048
19.0000 -28895.739613 43.8699 -95.9508 -21.9349 -13.1610 0.0000 21.9349 19.8197 29.8545 39.1582 45.7863 52.6179 56.0856 63.0893
20.0000 -28865.144566 54.4724 -119.4520 -27.2362 -16.3417 0.0000 27.2362 19.7484 29.0830 38.8575 46.1100 53.7428 57.6628 65.6517
21.0000 -28822.995105 40.6670 -141.8740 -20.3335 -12.2001 0.0000 20.3335 11.4824 21.2164 31.2028 38.5337 46.1988 50.1198 58.0848
22.0000 -28855.738737 46.3849 -159.8340 -23.1925 -13.9155 0.0000 23.1925 11.0574 19.8513 29.4820 36.6886 44.2962 48.2086 56.1885
23.0000 -28941.140161 37.6336 -77.5538 -18.8168 -11.2901 0.0000 18.8168 19.4942 30.4763 40.3899 47.4023 54.6071 58.2583 65.6245
24.0000 -29078.564762 38.4879 -68.9241 -19.2439 -11.5464 0.0000 19.2439 20.6877 31.9281 42.1114 49.3331 56.7649 60.5348 68.1461
25.0000 -29181.269407 27.4600 -100.9820 -13.7300 -8.2380 0.0000 13.7300 11.0172 21.8781 32.1881 39.6037 47.2874 51.1996 59.1202
26.0000 -29215.018568 41.4962 -97.5316 -20.7481 -12.4488 0.0000 20.7481 18.3245 28.9707 39.0492 46.2941 53.7995 57.6206 65.3565
27.0000 -29201.713845 27.7218 -66.1131 -13.8609 -8.3165 0.0000 13.8609 17.3801 30.3837 41.9186 50.0443 58.3784 62.5982 71.1054
28.0000 -29154.391965 32.3924 -80.2951 -16.1962 -9.7177 0.0000 16.1962 17.2113 28.9220 39.4689 46.9249 54.5833 58.4636 66.2905
29.0000 -29099.795312 22.4265 -67.8013 -11.2133 -6.7280 0.0000 11.2133 12.8365 24.5437 35.2339 42.8428 50.6892 54.6741 62.7272
30.0000 -29062.483585 20.7700 -57.4800 -10.3850 -6.2310 0.0000 10.3850 13.7562 24.7465 34.2925 40.9548 47.7523 51.1835 58.0844
31.0000 -29014.804128 20.7616 -77.0254 -10.3808 -6.2285 0.0000 10.3808 10.7760 21.9350 32.1665 39.4488 46.9556 50.7669 58.4668
32.0000 -29006.566354 45.5163 -91.8170 -22.7581 -13.6549 0.0000 22.7581 21.0980 32.2585 42.7907 50.3579 58.1956 62.1855 70.2628
33.0000 -29004.676327 28.7613 -90.6240 -14.3807 -8.6284 0.0000 14.3807 15.8219 28.6262 39.9693 47.9332 56.0816 60.2008 68.4941
34.0000 -29015.122152 41.7970 -138.0940 -20.8985 -12.5391 0.0000 20.8985 11.8820 21.5463 31.6937 39.2165 47.1272 51.1876 59.4583
35.0000 -29036.648543 24.1737 -79.9241 -12.0869 -7.2521 0.0000 12.0869 11.9650 23.1651 33.5760 41.0299 48.7400 52.6628 60.6014
36.0000 -29045.760485 11.6574 -120.4760 -5.8287 -3.4972 0.0000 5.8287 1.1488 12.3269 23.1523 30.9835 39.1193 43.2674 51.6738
37.0000 -29079.317136 41.0483 -80.2324 -20.5242 -12.3145 0.0000 20.5242 22.9786 35.9274 47.3703 55.4061 63.6313 67.7906 76.1674
38.0000 -29146.722462 24.7790 -81.7199 -12.3895 -7.4337 0.0000 12.3895 13.4627 25.0792 35.4219 42.6922 50.1340 53.8965 61.4724
39.0000 -29210.328144 17.7247 -116.7730 -8.8623 -5.3174 0.0000 8.8623 3.4824 13.3646 23.0546 30.0858 37.4008 41.1334 48.7024
40.0000 -29200.255405 46.4575 -103.3740 -23.2288 -13.9373 0.0000 23.2288 19.0268 29.1856 39.1877 46.4756 54.0793 57.9661 65.8599
41.0000 -29116.575728 53.2390 -157.4790 -26.6195 -15.9717 0.0000 26.6195 13.0842 20.5986 29.3005 35.9019 42.9141 46.5321 53.9298
42.0000 -28993.127588 23.6263 -82.3727 -11.8131 -7.0879 0.0000 11.8131 10.8058 19.9930 28.2843 34.1249 40.1060 43.1304 49.2203
43.0000 -28890.834976 30.3345 -87.0903 -15.1672 -9.1003 0.0000 15.1672 14.2415 24.6889 34.2755 41.0864 48.0974 51.6539 58.8335
44.0000 -28803.018801 39.5274 -99.5660 -19.7637 -11.8582 0.0000 19.7637 17.9898 29.6863 40.7032 48.6214 56.8274 61.0068 69.4713
45.0000 -28792.638312 46.1357 -77.7703 -23.0678 -13.8407 0.0000 23.0678 23.0879 34.5667 45.3070 53.0198 61.0115 65.0816 73.3249
46.0000 -28836.778725 40.1220 -80.7467 -20.0610 -12.0366 0.0000 20.0610 18.7730 29.1881 39.0785 46.2067 53.6033 57.3729 65.0112
47.0000 -28925.691190 24.7638 -123.0080 -12.3819 -7.4291 0.0000 12.3819 4.9893 14.6426 24.6344 32.0204 39.7794 43.7604 51.8683
48.0000 -29013.368457 38.0923 -98.9780 -19.0462 -11.4277 0.0000 19.0462 18.5123 31.0013 42.4475 50.5857 58.9685 63.2225 71.8129
49.0000 -29101.715486 36.9921 -123.6610 -18.4961 -11.0976 0.0000 18.4961 12.7524 22.7823 32.5797 39.6747 47.0470 50.8058 58.4230
50.0000 -29185.276771 43.6087 -135.4070 -21.8043 -13.0826 0.0000 21.8043 13.4521 23.2227 33.2779 40.6766 48.4246 52.3918 60.4570
51.0000 -29247.859942 29.9006 -63.4502 -14.9503 -8.9702 0.0000 14.9503 17.4114 28.9692 39.3047 46.6010 54.0908 57.8846 65.5351
52.0000 -29247.494390 29.5734 -61.4160 -14.7867 -8.8720 0.0000 14.7867 15.8968 26.3214 35.9317 42.7976 49.8927 53.5006 60.7994
53.0000 -29207.974044 42.6329 -70.8571 -21.3165 -12.7899 0.0000 21.3165 23.0206 35.4830 46.9357 55.1139 63.5638 67.8604 76.5520
54.0000 -29128.144439 33.7366 -113.8380 -16.8683 -10.1210 0.0000 16.8683 10.9998 20.4238 29.8727 36.7846 44.0069 47.7013 55.2081
55.0000 -29031.762088 48.3252 -109.1110 -24.1626 -14.4976 0.0000 24.1626 20.6924 31.7336 42.3018 49.9249 57.8359 61.8675 70.0358
56.0000 -28958.983533 33.7577 -87.4786 -16.8789 -10.1273 0.0000 16.8789 16.6196 27.9142 38.2232 45.5385 53.0647 56.8812 64.5837
57.0000 -28907.835354 36.1858 -58.3109 -18.0929 -10.8557 0.0000 18.0929 22.6610 35.1680 45.9496 53.4522 61.0938 64.9470 72.6895
58.0000 -28887.082773 42.4753 -68.7774 -21.2377 -12.7426 0.0000 21.2377 23.1102 35.1050 46.0205 53.7842 61.7889 65.8541 74.0697
59.0000 -28924.075102 48.3602 -64.1098 -24.1801 -14.5081 0.0000 24.1801 25.4830 36.1281 45.8330 52.7350 59.8496 63.4623 70.7626
60.0000 -28980.168245 20.8416 -51.9750 -10.4208 -6.2525 0.0000 10.4208 14.6775 26.3051 36.4089 43.4688 50.6778 54.3185 61.6439
61.0000 -29069.550201 31.4031 -66.3549 -15.7015 -9.4209 0.0000 15.7015 18.6118 30.5769 41.1264 48.5317 56.1104 59.9426 67.6605
62.0000 -29192.648875 34.1086 -156.7990 -17.0543 -10.2326 0.0000 17.0543 6.7580 16.3998 26.3231 33.5973 41.1935 45.0758 52.9561
63.0000 -29280.171607 31.7679 -73.1467 -15.8839 -9.5304 0.0000 15.8839 16.7171 28.4655 39.3856 47.2188 55.3338 59.4668 67.8384
64.0000 -29266.985391 29.2054 -67.1018 -14.6027 -8.7616 0.0000 14.6027 16.0008 26.7926 36.5234 43.4082 50.4835 54.0696 61.3050
65.0000 -29184.269727 27.3639 -128.9630 -13.6819 -8.2092 0.0000 13.6819 8.1798 18.9316 29.3190 36.8163 44.5942 48.5564 56.5808
66.0000 -29093.064667 67.6845 -143.7100 -33.8422 -20.3053 0.0000 33.8422 23.1701 31.6415 40.8096 47.6449 54.8466 58.5460 66.0848
67.0000 -29035.805546 83.2735 -175.1740 -41.6367 -24.9820 0.0000 41.6367 26.8140 34.8684 44.1191 51.1106 58.5204 62.3382 70.1351
68.0000 -28974.482494 35.9633 -55.2788 -17.9817 -10.7890 0.0000 17.9817 22.4018 34.9578 45.9743 53.7070 61.6244 65.6295 73.6986
69.0000 -28935.955352 38.4157 -76.4829 -19.2078 -11.5247 0.0000 19.2078 21.2947 33.0245 43.3138 50.5109 57.8596 61.5702 69.0338
70.0000 -28968.165960 33.7604 -77.6396 -16.8802 -10.1281 0.0000 16.8802 16.3794 27.5897 38.1889 45.8231 53.7432 57.7792 65.9566
71.0000 -29042.217843 36.4503 -44.1467 -18.2251 -10.9351 0.0000 18.2251 24.9581 38.4327 49.9704 57.9947 66.1689 70.2915 78.5772
72.0000 -29122.400513 34.0740 -85.6685 -17.0370 -10.2222 0.0000 17.0370 18.2338 30.9410 42.4117 50.5310 58.8765 63.1067 71.6418
73.0000 -29220.048518 35.3211 -41.8710 -17.6605 -10.5963 0.0000 17.6605 25.2645 39.3703 51.3920 59.7439 68.2493 72.5385 81.1591
74.0000 -29294.143521 55.5854 -115.8420 -27.7927 -16.6756 0.0000 27.7927 22.6330 33.3537 43.9826 51.7417 59.8434 63.9865 72.4028
75.0000 -29307.808381 22.7514 -108.0200 -11.3757 -6.8254 0.0000 11.3757 7.9874 18.9762 29.4678 37.0259 44.8628 48.8546 56.9385
76.0000 -29277.843174 34.9247 -117.1770 -17.4623 -10.4774 0.0000 17.4623 15.0813 27.0060 37.9494 45.7141 53.6990 57.7465 65.9124
77.0000 -29195.977695 64.3725 -95.2714 -32.1862 -19.3117 0.0000 32.1862 29.2996 39.5992 49.5196 56.6971 64.1588 67.9655 75.6847
78.0000 -29088.361715 34.0447 -86.1862 -17.0224 -10.2134 0.0000 17.0224 16.5996 27.8907 38.2912 45.7004 53.3405 57.2202 65.0594
79.0000 -29012.752779 35.9780 -94.1471 -17.9890 -10.7934 0.0000 17.9890 16.6390 28.1770 38.9757 46.7124 54.7139 58.7838 67.0174
80.0000 -28986.544289 19.7762 -94.0209 -9.8881 -5.9329 0.0000 9.8881 7.1322 17.2458 26.8997 33.8521 41.0587 44.7285 52.1588
81.0000 -29030.604378 38.1975 -61.1575 -19.0988 -11.4593 0.0000 19.0988 21.8327 33.7619 44.5360 52.1865 60.0699 64.0727 72.1616
82.0000 -29101.999136 43.2299 -82.8953 -21.6150 -12.9690 0.0000 21.6150 21.0648 32.7019 43.6257 51.4656 59.5816 63.7118 72.0704
83.0000 -29159.531169 22.3917 -78.4873 -11.1958 -6.7175 0.0000 11.1958 10.9506 22.2485 32.8335 40.4316 48.3004 52.3063 60.4162
84.0000 -29178.258698 34.7029 -76.0858 -17.3515 -10.4109 0.0000 17.3515 17.9586 28.7548 38.5177 45.4267 52.5263 56.1243 63.3833
85.0000 -29176.080750 39.3560 -87.9754 -19.6780 -11.8068 0.0000 19.6780 18.9539 30.7025 41.6836 49.5513 57.6886 61.8275 70.2005
86.0000 -29158.419228 41.1372 -84.7739 -20.5686 -12.3412 0.0000 20.5686 22.0324 34.5310 45.7128 53.6027 61.6996 65.8004 74.0691
87.0000 -29103.048912 42.8159 -91.6515 -21.4080 -12.8448 0.0000 21.4080 20.1336 31.7131 42.5928 50.4011 58.4850 62.5994 70.9275
88.0000 -29045.677521 49.9695 -75.4663 -24.9848 -14.9909 0.0000 24.9848 26.5499 38.1801 48.5649 55.8819 63.3830 67.1792 74.8292
89.0000 -28998.919416 31.5731 -65.6254 -15.7866 -9.4719 0.0000 15.7866 18.0494 29.6096 39.9552 47.2602 54.7604 58.5599 66.2231
90.0000 -28955.355251 38.4214 -81.5705 -19.2107 -11.5264 0.0000 19.2107 19.9020 31.1351 41.1942 48.2809 55.5438 59.2188 66.6229
91.0000 -28937.454018 30.9056 -67.4197 -15.4528 -9.2717 0.0000 15.4528 17.2843 28.5440 38.6551 45.8016 53.1424 56.8622 64.3661
92.0000 -28954.510781 29.0935 -76.7305 -14.5468 -8.7281 0.0000 14.5468 15.8187 27.7979 38.6616 46.3680 54.2995 58.3231 66.4469
93.0000 -28990.882906 33.3405 -94.2194 -16.6702 -10.0021 0.0000 16.6702 13.3148 23.1625 32.7673 39.7446 47.0125 50.7242 58.2570
94.0000 -28991.946676 39.8277 -94.7187 -19.9138 -11.9483 0.0000 19.9138 18.2636 29.3923 39.8033 47.2565 54.9608 58.8783 66.8018
95.0000 -29021.133957 39.4168 -88.5434 -19.7084 -11.8251 0.0000 19.7084 20.1360 32.4087 43.5758 51.5013 59.6592 63.7977 72.1531
96.0000 -29031.534537 33.3531 -116.2960 -16.6766 -10.0059 0.0000 16.6766 11.8158 22.4270 32.7572 40.2372 48.0101 51.9735 60.0058
97.0000 -29067.690413 31.5153 -108.3580 -15.7576 -9.4546 0.0000 15.7576 11.4996 22.2747 32.8750 40.6021 48.6676 52.7919 61.1707
98.0000 -29104.358517 14.9184 -129.7310 -7.4592 -4.4755 0.0000 7.4592 2.5987 14.1315 25.0227 32.8025 40.8224 44.8918 53.1059
99.0000 -29158.245583 50.6072 -121.6130 -25.3036 -15.1822 0.0000 25.3036 19.3799 29.6430 39.8243 47.2425 54.9760 58.9265 66.9435
100.0000 -29205.133372 27.5069 -81.0378 -13.7535 -8.2521 0.0000 13.7535 15.3896 27.6160 38.4858 46.1299 53.9584 57.9181 65.8941
101.0000 -29200.744027 40.6913 -45.1729 -20.3456 -12.2074 0.0000 20.3456 25.7752 37.8622 48.2551 55.4910 62.8659 66.5867 74.0670
102.0000 -29142.096634 30.5671 -70.2505 -15.2835 -9.1701 0.0000 15.2835 18.1402 30.5388 41.4774 49.1547 57.0101 60.9814 68.9776
103.0000 -29028.952254 34.9682 -99.1791 -17.4841 -10.4905 0.0000 17.4841 13.9477 24.2992 34.3637 41.6602 49.2498 53.1222 60.9743
104.0000 -28902.155895 23.2992 -89.2186 -11.6496 -6.9897 0.0000 11.6496 11.2945 22.9008 33.5609 41.1456 48.9605 52.9268 60.9369
105.0000 -28800.295605 47.6824 -83.0428 -23.8412 -14.3047 0.0000 23.8412 22.7517 33.1925 42.9678 49.9730 57.2190 60.9051 68.3629
106.0000 -28752.477455 42.2956 -86.5788 -21.1478 -12.6887 0.0000 21.1478 21.1480 33.0898 44.0810 51.9146 59.9957 64.1003 72.3956
107.0000 -28784.375725 24.4464 -68.7559 -12.2232 -7.3339 0.0000 12.2232 15.4446 28.2877 39.6837 47.7123 55.9478 60.1181 68.5268
108.0000 -28880.725957 30.5092 -98.9424 -15.2546 -9.1528 0.0000 15.2546 11.5691 21.8718 31.9689 39.3155 46.9742 50.8872 58.8309
109.0000 -29017.638916 36.2362 -70.7801 -18.1181 -10.8709 0.0000 18.1181 19.1978 30.2797 40.3633 47.5246 54.8993 58.6417 66.1997
110.0000 -29169.771181 33.9543 -89.7734 -16.9771 -10.1863 0.0000 16.9771 15.4763 25.6539 35.0521 41.7392 48.6267 52.1213 59.1773
111.0000 -29319.562884 41.1520 -125.8560 -20.5760 -12.3456 0.0000 20.5760 14.8889 25.3000 35.4812 42.8679 50.5549 54.4783 62.4367
112.0000 -29416.374038 36.9426 -72.0288 -18.4713 -11.0828 0.0000 18.4713 19.7128 31.4174 42.1261 49.7530 57.6210 61.6181 69.6976
113.0000 -29426.002127 34.5551 -89.9990 -17.2775 -10.3665 0.0000 17.2775 15.9075 26.9066 37.2159 44.6053 52.2497 56.1385 64.0071
114.0000 -29342.946022 22.8671 -86.7226 -11.4336 -6.8601 0.0000 11.4336 10.1688 21.5497 32.3377 40.1064 48.1630 52.2673 60.5808
115.0000 -29190.055195 21.8050 -67.8591 -10.9025 -6.5415 0.0000 10.9025 12.3649 23.9523 34.5814 42.1629 49.9911 53.9699 62.0157
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