# 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"
@ 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 -28846.207863 79.8439 -169.8430 -79.8439 -63.8751 -39.9220 0.0000 -13.9388 -5.2846 4.4958 11.8705 19.6818 23.7059 31.9240
1.0000 -28888.509464 0.6771 -56.4035 -0.6771 -0.5416 -0.3385 0.0000 5.3395 18.8688 30.6049 38.8012 47.1676 51.3917 59.8884
2.0000 -28989.249740 5.5421 -32.8589 -5.5421 -4.4337 -2.7711 0.0000 8.4415 22.1871 33.7521 41.7458 49.8629 53.9493 62.1507
3.0000 -29097.879941 12.5199 -42.5246 -12.5199 -10.0159 -6.2599 0.0000 5.5695 17.5169 27.7825 34.9282 42.2098 45.8828 53.2658
4.0000 -29174.899357 15.4112 -75.2240 -15.4112 -12.3290 -7.7056 0.0000 0.0655 10.7330 20.6011 27.6531 34.9404 38.6459 46.1417
5.0000 -29206.455547 14.2278 -77.8707 -14.2278 -11.3822 -7.1139 0.0000 0.8413 12.2012 22.4735 29.7457 37.2205 41.0093 48.6538
6.0000 -29187.319533 12.0640 -97.5263 -12.0640 -9.6512 -6.0320 0.0000 -3.4563 6.0311 15.1172 21.6605 28.4418 31.8946 38.8852
7.0000 -29167.732244 26.1518 -101.6780 -26.1518 -20.9214 -13.0759 0.0000 -1.8336 9.5987 20.2400 27.8419 35.6906 39.6786 47.7397
8.0000 -29124.767017 24.6073 -98.8841 -24.6073 -19.6858 -12.3036 0.0000 -1.8891 9.0748 19.2451 26.4947 33.9692 37.7639 45.4292
9.0000 -29085.728386 13.6312 -94.7413 -13.6312 -10.9049 -6.8156 0.0000 -2.5438 7.4686 16.9095 23.6758 30.6709 34.2276 41.4204
10.0000 -29048.355543 11.5989 -84.6356 -11.5989 -9.2792 -5.7995 0.0000 1.0841 12.8916 23.3642 30.7133 38.2283 42.0256 49.6681
11.0000 -29031.908511 2.6960 -81.4218 -2.6960 -2.1568 -1.3480 0.0000 1.1263 13.4036 24.4914 32.3361 40.3957 44.4795 52.7168
12.0000 -29053.126460 13.3856 -125.7290 -13.3856 -10.7085 -6.6928 0.0000 -6.1369 4.8273 15.7609 23.7456 32.0806 36.3415 44.9938
13.0000 -29066.554910 2.0049 -100.5430 -2.0049 -1.6039 -1.0024 0.0000 -3.7485 6.6586 16.8230 24.2028 31.8845 35.8055 43.7582
14.0000 -29084.947459 21.0165 -92.2091 -21.0165 -16.8132 -10.5082 0.0000 -1.2342 10.3165 21.1428 28.9055 36.9378 41.0245 49.2940
15.0000 -29068.967978 19.2771 -77.0783 -19.2771 -15.4217 -9.6385 0.0000 0.4123 11.1262 20.8108 27.6577 34.6879 38.2488 45.4292
16.0000 -29024.444955 21.5259 -117.2360 -21.5259 -17.2207 -10.7629 0.0000 -3.9353 7.6671 18.7736 26.7764 35.0727 39.2974 47.8503
17.0000 -28979.720134 17.5659 -105.2050 -17.5659 -14.0527 -8.7829 0.0000 -3.6864 7.0042 17.3471 24.8338 32.6162 36.5857 44.6337
18.0000 -28950.379615 2.1760 -96.9335 -2.1760 -1.7408 -1.0880 0.0000 -3.1407 6.8832 16.4782 23.3904 30.5551 34.2032 41.5888
19.0000 -28971.923898 18.9325 -49.1167 -18.9325 -15.1460 -9.4663 0.0000 5.6688 18.4961 29.5467 37.2494 45.1062 49.0719 57.0478
20.0000 -29036.101519 20.4205 -44.0808 -20.4205 -16.3364 -10.2103 0.0000 7.3725 21.5262 33.6378 42.0676 50.6611 54.9976 63.7175
21.0000 -29115.984982 1.3971 -79.9587 -1.3971 -1.1176 -0.6985 0.0000 0.5139 12.1734 22.8776 30.5069 38.3793 42.3789 50.4634
22.0000 -29163.933142 20.1107 -65.2897 -20.1107 -16.0885 -10.0553 0.0000 3.6802 16.1175 26.9346 34.4834 42.1827 46.0678 53.8790
23.0000 -29191.950702 16.0496 -105.3880 -16.0496 -12.8396 -8.0248 0.0000 -2.9620 8.1456 18.6600 26.2052 34.0102 37.9798 46.0089
24.0000 -29222.055825 8.5922 -35.7951 -8.5922 -6.8737 -4.2961 0.0000 6.8037 19.4198 30.1957 37.6860 45.3148 49.1621 56.8946
25.0000 -29211.072812 23.3533 -46.6295 -23.3533 -18.6826 -11.6766 0.0000 4.8239 16.9937 27.6696 35.1646 42.8388 46.7205 54.5404
26.0000 -29147.525044 3.3805 -88.7090 -3.3805 -2.7044 -1.6903 0.0000 -2.9321 6.4576 15.4988 22.0276 28.8039 32.2570 39.2525
27.0000 -29074.094233 27.6934 -50.2050 -27.6934 -22.1547 -13.8467 0.0000 4.8670 16.9513 27.3986 34.6846 42.1166 45.8677 53.4111
28.0000 -29014.182703 12.4182 -63.8002 -12.4182 -9.9346 -6.2091 0.0000 2.6942 14.4567 24.9391 32.3317 39.9175 43.7593 51.5060
29.0000 -28970.760283 31.7312 -81.6015 -31.7312 -25.3849 -15.8656 0.0000 0.0722 11.7017 22.4651 30.1570 38.1044 42.1451 50.3177
30.0000 -28957.368540 11.1034 -92.4868 -11.1034 -8.8827 -5.5517 0.0000 -1.0367 10.2787 20.7537 28.2261 35.9362 39.8525 47.7672
31.0000 -28939.231371 10.3171 -74.4165 -10.3171 -8.2537 -5.1586 0.0000 1.7215 14.0584 25.2130 33.1160 41.2434 45.3642 53.6802
32.0000 -28940.811690 -1.4560 -45.4535 1.4560 1.1648 0.7280 0.0000 6.2330 19.4322 30.8094 38.7451 46.8429 50.9312 59.1550
33.0000 -28951.738163 16.4519 -55.5169 -16.4519 -13.1615 -8.2260 0.0000 4.8378 17.9148 29.3551 37.3743 45.5774 49.7244 58.0749
34.0000 -28979.047246 29.1796 -66.9008 -29.1796 -23.3437 -14.5898 0.0000 3.2020 16.1374 27.6824 35.8327 44.2010 48.4405 56.9910
35.0000 -28981.294551 25.5303 -75.0910 -25.5303 -20.4242 -12.7651 0.0000 0.5659 11.7395 21.9799 29.2697 36.7855 40.6019 48.3133
36.0000 -28986.170251 12.7307 -77.9840 -12.7307 -10.1845 -6.3653 0.0000 0.9788 12.3498 22.5843 29.8175 37.2461 41.0098 48.6013
37.0000 -29011.479642 2.2517 -85.2775 -2.2517 -1.8013 -1.1258 0.0000 -1.1946 9.3332 19.1585 26.1857 33.4452 37.1350 44.5953
38.0000 -29034.638061 16.3721 -102.1900 -16.3721 -13.0977 -8.1861 0.0000 -3.4166 6.1730 15.3068 21.8797 28.6919 32.1611 39.1865
39.0000 -29022.264935 25.2658 -73.2133 -25.2658 -20.2126 -12.6329 0.0000 -0.4124 9.5129 18.7417 25.3413 32.1610 35.6283 42.6408
40.0000 -29001.155958 17.7506 -100.3630 -17.7506 -14.2005 -8.8753 0.0000 -4.7215 4.9031 14.4907 21.4862 28.7827 32.5106 40.0770
41.0000 -29009.422756 -3.0566 -64.2576 3.0566 2.4452 1.5283 0.0000 2.2354 13.8184 24.2447 31.6254 39.2143 43.0621 50.8280
42.0000 -29055.469971 5.6135 -109.8350 -5.6135 -4.4908 -2.8068 0.0000 -4.3306 6.1629 16.3476 23.7166 31.3715 35.2740 43.1816
43.0000 -29111.830681 9.8405 -72.9588 -9.8404 -7.8724 -4.9202 0.0000 1.1875 12.1825 22.0443 29.0030 36.1427 39.7580 47.0467
44.0000 -29132.478760 6.5291 -73.9546 -6.5292 -5.2233 -3.2646 0.0000 1.5120 13.5579 24.4920 32.2536 40.2453 44.3005 52.4895
45.0000 -29143.206071 21.3734 -117.8510 -21.3734 -17.0987 -10.6867 0.0000 -5.0119 5.6595 16.0811 23.6388 31.5000 35.5108 43.6437
46.0000 -29126.021794 13.3690 -68.0261 -13.3690 -10.6952 -6.6845 0.0000 3.9072 16.7594 27.9337 35.7362 43.6984 47.7176 55.8007
47.0000 -29063.156312 3.8851 -73.0397 -3.8851 -3.1081 -1.9425 0.0000 1.6156 13.7288 24.7310 32.5438 40.5898 44.6730 52.9193
48.0000 -28997.602679 34.1103 -101.2420 -34.1103 -27.2883 -17.0552 0.0000 -3.5644 6.7867 16.8353 24.1215 31.7033 35.5731 43.4229
49.0000 -28939.463345 11.9898 -84.7902 -11.9898 -9.5918 -5.9949 0.0000 -0.0729 11.6391 22.4435 30.1478 38.0961 42.1331 50.2906
50.0000 -28918.453428 20.6383 -69.2293 -20.6383 -16.5106 -10.3192 0.0000 3.1145 15.5877 26.5442 34.2212 42.0692 46.0349 54.0170
51.0000 -28941.003212 11.9195 -130.8870 -11.9195 -9.5356 -5.9598 0.0000 -7.1858 3.2681 13.7880 21.4759 29.4986 33.5983 41.9195
52.0000 -28990.307051 26.9669 -77.5087 -26.9669 -21.5735 -13.4834 0.0000 1.8435 13.8929 24.6103 32.1538 39.8844 43.7962 51.6789
53.0000 -29048.643811 19.2852 -57.4107 -19.2852 -15.4282 -9.6426 0.0000 4.4657 16.8766 27.6269 35.1258 42.7748 46.6352 54.3984
54.0000 -29090.713372 17.5825 -54.7288 -17.5825 -14.0660 -8.7912 0.0000 4.0643 16.1669 26.8291 34.3270 42.0125 45.9029 53.7457
55.0000 -29105.164694 6.8391 -85.4400 -6.8391 -5.4713 -3.4196 0.0000 0.1491 12.3896 23.7162 31.8109 40.1748 44.4271 53.0271
56.0000 -29102.894952 23.7876 -62.8191 -23.7876 -19.0301 -11.8938 0.0000 3.4866 15.9487 26.9605 34.7032 42.6360 46.6500 54.7385
57.0000 -29039.862111 7.4211 -78.3713 -7.4210 -5.9368 -3.7105 0.0000 0.3137 11.5629 21.8839 29.2312 36.8056 40.6515 48.4215
58.0000 -28903.366231 14.1923 -64.6447 -14.1923 -11.3539 -7.0962 0.0000 2.8097 15.3499 26.6374 34.6297 42.8481 47.0151 55.4247
59.0000 -28782.037079 18.6850 -92.4427 -18.6850 -14.9480 -9.3425 0.0000 0.0222 12.5999 24.1365 32.3443 40.8012 45.0933 53.7610
60.0000 -28741.506669 24.6469 -67.2497 -24.6469 -19.7176 -12.3235 0.0000 2.2869 13.8684 24.1731 31.4296 38.8686 42.6337 50.2221
61.0000 -28804.202185 17.9142 -111.1880 -17.9142 -14.3314 -8.9571 0.0000 -3.4375 7.6048 18.1227 25.6969 33.5505 37.5512 45.6543
62.0000 -28949.562592 19.9165 -80.7808 -19.9165 -15.9332 -9.9582 0.0000 0.9695 13.1014 24.1291 31.9566 40.0150 44.1035 52.3592
63.0000 -29124.530206 19.1345 -73.5155 -19.1345 -15.3076 -9.5672 0.0000 2.1809 14.4415 25.3699 33.0689 40.9622 44.9574 53.0092
64.0000 -29258.917037 6.7061 -60.9573 -6.7061 -5.3649 -3.3530 0.0000 3.5499 15.1539 25.2015 32.2004 39.3318 42.9285 50.1573
65.0000 -29318.455259 17.5055 -76.6682 -17.5055 -14.0044 -8.7527 0.0000 0.9052 13.2513 24.6981 32.8956 41.3777 45.6941 54.4302
66.0000 -29274.673021 17.0340 -93.4790 -17.0340 -13.6272 -8.5170 0.0000 -1.4221 9.6626 20.0153 27.4279 35.0925 38.9908 46.8771
67.0000 -29167.871976 14.8255 -99.1907 -14.8255 -11.8604 -7.4128 0.0000 -2.0299 9.1494 19.6192 27.1131 34.8573 38.7942 46.7552
68.0000 -29046.870269 12.7591 -90.5425 -12.7591 -10.2073 -6.3796 0.0000 -0.4442 11.2025 21.8714 29.4503 37.2514 41.2082 49.1953
69.0000 -28931.551906 11.1825 -58.1614 -11.1825 -8.9460 -5.5912 0.0000 3.5331 14.7907 24.5322 31.3171 38.2308 41.7180 48.7270
70.0000 -28873.929533 18.1985 -88.0336 -18.1985 -14.5588 -9.0993 0.0000 -1.0360 9.8816 20.0371 27.2973 34.7981 38.6112 46.3225
71.0000 -28862.834358 -1.5894 -71.4800 1.5894 1.2716 0.7947 0.0000 0.5028 10.8285 20.2311 26.9052 33.7753 37.2607 44.2984
72.0000 -28909.986216 13.2435 -69.6725 -13.2435 -10.5948 -6.6217 0.0000 1.3241 12.0486 21.6510 28.4232 35.3700 38.8871 45.9774
73.0000 -29000.227349 16.6391 -66.0590 -16.6391 -13.3113 -8.3196 0.0000 2.9523 15.6888 27.1512 35.2754 43.6370 47.8793 56.4464
74.0000 -29098.821025 7.6394 -102.3410 -7.6394 -6.1115 -3.8197 0.0000 -3.6681 7.4471 18.3243 26.2305 34.4658 38.6709 47.2024
75.0000 -29192.958447 15.1296 -94.9554 -15.1296 -12.1037 -7.5648 0.0000 -1.8415 9.7414 20.7326 28.6459 36.8506 41.0296 49.4926
76.0000 -29251.174908 11.3766 -45.9355 -11.3766 -9.1013 -5.6883 0.0000 5.3409 17.5733 28.1529 35.5377 43.0755 46.8815 54.5383
77.0000 -29249.068239 12.1356 -103.3120 -12.1356 -9.7085 -6.0678 0.0000 -1.5640 10.1450 20.9381 28.6170 36.5265 40.5399 48.6429
78.0000 -29177.882679 23.9868 -86.2483 -23.9868 -19.1894 -11.9934 0.0000 0.9039 13.0236 23.8847 31.5422 39.3939 43.3678 51.3762
79.0000 -29061.121163 12.3990 -99.5934 -12.3990 -9.9192 -6.1995 0.0000 -2.8096 7.0190 16.2319 22.8190 29.6210 33.0774 40.0645
80.0000 -28932.097871 23.0597 -131.3050 -23.0597 -18.4478 -11.5299 0.0000 -8.1956 1.1673 10.8388 17.9652 25.4342 29.2605 37.0427
81.0000 -28839.539940 6.9005 -67.8121 -6.9005 -5.5204 -3.4502 0.0000 2.4609 13.8186 23.7764 30.7426 37.8566 41.4491 48.6766
82.0000 -28823.879134 9.2253 -68.9967 -9.2253 -7.3802 -4.6126 0.0000 2.3766 13.7363 23.6887 30.6477 37.7526 41.3399 48.5560
83.0000 -28861.377370 5.5420 -50.1149 -5.5421 -4.4336 -2.7710 0.0000 5.5722 18.1734 28.9471 36.4262 44.0356 47.8704 55.5732
84.0000 -28926.219104 3.1709 -79.2033 -3.1709 -2.5367 -1.5855 0.0000 0.6607 11.9549 22.1501 29.3556 36.7524 40.4986 48.0516
85.0000 -29003.057359 14.5563 -92.4765 -14.5563 -11.6450 -7.2782 0.0000 -0.4162 12.1189 23.7720 32.1097 40.7287 45.1118 53.9775
86.0000 -29100.022424 21.6705 -59.5926 -21.6705 -17.3364 -10.8352 0.0000 3.3830 15.5024 26.2709 33.8619 41.6504 45.5947 53.5479
87.0000 -29167.147062 -15.9903 -57.7008 15.9903 12.7923 7.9952 0.0000 3.6430 15.6976 26.3472 33.8376 41.5136 45.3983 53.2273
88.0000 -29183.011949 18.3508 -63.0034 -18.3508 -14.6807 -9.1754 0.0000 4.0111 16.9581 28.3510 36.3528 44.5465 48.6912 57.0407
89.0000 -29170.464048 30.0432 -90.2671 -30.0432 -24.0346 -15.0216 0.0000 -2.1296 7.6788 16.8639 23.4301 30.2094 33.6536 40.6150
90.0000 -29111.743745 26.5938 -92.7606 -26.5938 -21.2750 -13.2969 0.0000 -0.4443 11.8874 23.3299 31.5133 39.9718 44.2731 52.9740
91.0000 -29007.862754 14.2080 -103.7130 -14.2080 -11.3664 -7.1040 0.0000 -2.4771 8.8863 19.6195 27.3284 35.3101 39.3723 47.5939
92.0000 -28875.174181 14.2088 -97.3753 -14.2088 -11.3670 -7.1044 0.0000 -3.0505 7.3262 17.3377 24.5839 32.1177 35.9611 43.7544
93.0000 -28776.854622 -7.1444 -43.2267 7.1443 5.7155 3.5722 0.0000 5.7012 17.6590 27.8633 34.9452 42.1502 45.7811 53.0745
94.0000 -28767.780429 25.6428 -98.6174 -25.6428 -20.5142 -12.8214 0.0000 -3.1336 7.5331 17.8361 25.2926 33.0428 36.9957 45.0088
95.0000 -28846.843449 24.4630 -74.0488 -24.4630 -19.5704 -12.2315 0.0000 1.2851 13.1210 23.8995 31.5603 39.4537 43.4606 51.5550
96.0000 -28995.994793 11.5870 -73.5210 -11.5870 -9.2696 -5.7935 0.0000 1.5376 13.4586 24.2579 31.9171 39.7992 43.7976 51.8699
97.0000 -29166.581003 2.8055 -106.9370 -2.8055 -2.2444 -1.4027 0.0000 -3.7828 6.5234 16.3836 23.4809 30.8335 34.5760 42.1507
98.0000 -29284.596203 16.0445 -97.8231 -16.0445 -12.8356 -8.0222 0.0000 -1.4565 9.6886 19.9798 27.3114 34.8708 38.7093 46.4645
99.0000 -29332.908388 2.7799 -63.9464 -2.7799 -2.2239 -1.3900 0.0000 4.8667 18.3819 30.0425 38.1599 46.4292 50.5992 58.9785
100.0000 -29321.997100 16.6160 -53.5116 -16.6160 -13.2928 -8.3080 0.0000 5.6189 19.5889 31.8639 40.4972 49.3491 53.8308 62.8666
101.0000 -29230.926962 12.5200 -86.9230 -12.5200 -10.0160 -6.2600 0.0000 -0.0899 12.0651 23.3127 31.3446 39.6379 43.8524 52.3722
102.0000 -29077.472594 12.0517 -79.5370 -12.0517 -9.6414 -6.0259 0.0000 1.8663 13.6837 24.0745 31.3499 38.7832 42.5378 50.0929
103.0000 -28918.791533 10.3604 -139.5840 -10.3604 -8.2883 -5.1802 0.0000 -6.8583 3.4205 13.4110 20.6177 28.0870 31.8892 39.5843
104.0000 -28759.011224 16.5663 -93.5622 -16.5663 -13.2531 -8.2832 0.0000 -0.3908 11.3220 21.9505 29.4685 37.1876 41.0971 48.9789
105.0000 -28617.962329 23.4796 -61.2516 -23.4796 -18.7836 -11.7398 0.0000 4.3271 17.9552 30.0756 38.6341 47.4268 51.8835 60.8769
106.0000 -28577.522498 0.4792 -91.1239 -0.4792 -0.3834 -0.2396 0.0000 -1.7237 8.8969 18.8293 25.9329 33.2701 36.9990 44.5376
107.0000 -28659.717000 20.1310 -137.8120 -20.1310 -16.1048 -10.0655 0.0000 -6.5692 4.4508 15.2286 23.0307 31.1337 35.2634 43.6289
108.0000 -28841.627462 10.4818 -125.4240 -10.4818 -8.3855 -5.2409 0.0000 -5.2621 5.9295 16.8061 24.6770 32.8534 37.0218 45.4681
109.0000 -29047.646311 2.2642 -66.5570 -2.2642 -1.8113 -1.1321 0.0000 2.5235 14.3574 24.8990 32.3308 39.9553 43.8162 51.6010
110.0000 -29236.849816 23.1790 -84.1961 -23.1790 -18.5432 -11.5895 0.0000 -1.0200 9.8703 20.0828 27.4051 34.9807 38.8348 46.6329
111.0000 -29348.283438 15.7408 -116.1140 -15.7408 -12.5926 -7.8704 0.0000 -7.0466 2.1597 11.7058 18.7628 26.1748 29.9768 37.7182
112.0000 -29375.929550 15.7497 -73.1984 -15.7497 -12.5997 -7.8748 0.0000 0.0919 10.2650 19.5825 26.2067 33.0300 36.4928 43.4861
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