# 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"
@ 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 -29043.143152 79.8439 -169.8430 0.0000 15.9688 39.9220 79.8439 65.9051 74.5593 84.3397 91.7144 99.5257 103.5498 111.7679
1.0000 -29065.154171 95.7415 -162.9420 0.0000 19.1483 47.8707 95.7415 81.6449 89.5166 98.6958 105.6811 113.1148 116.9545 124.8124
2.0000 -29119.674924 118.7510 -224.0860 0.0000 23.7503 59.3757 118.7514 95.0235 100.9672 109.5355 116.3262 123.6734 127.4995 135.3739
3.0000 -29146.097118 102.4070 -203.3980 0.0000 20.4814 51.2034 102.4068 83.0723 89.6114 97.8653 104.2139 110.9889 114.4912 121.6601
4.0000 -29132.014462 89.0906 -173.7700 0.0000 17.8181 44.5453 89.0906 75.2722 84.2386 94.1888 101.6473 109.5231 113.5733 121.8335
5.0000 -29112.440857 72.0711 -111.0270 0.0000 14.4142 36.0356 72.0711 67.8503 78.1018 87.9799 95.1119 102.5140 106.2860 113.9275
6.0000 -29089.473312 71.1368 -131.2470 0.0000 14.2274 35.5684 71.1368 64.4267 74.5228 84.4599 91.6602 99.1397 102.9518 110.6738
7.0000 -29058.260927 41.0234 -80.2282 0.0000 8.2047 20.5117 41.0234 40.5938 51.0578 60.7063 67.5850 74.6825 78.2884 85.5776
8.0000 -29009.056193 59.4598 -85.3770 0.0000 11.8920 29.7299 59.4598 58.9407 70.0384 80.2810 87.5833 95.1165 98.9429 106.6758
9.0000 -29007.537953 68.8241 -94.9620 0.0000 13.7648 34.4120 68.8241 66.7800 78.2874 89.2905 97.2388 105.4958 109.7064 118.2416
10.0000 -29105.404397 75.1686 -95.2109 0.0000 15.0337 37.5843 75.1686 73.0468 84.0859 94.5407 102.0564 109.8409 113.8034 121.8240
11.0000 -29192.566276 66.2366 -64.4363 0.0000 13.2473 33.1183 66.2366 68.7150 80.7559 91.6378 99.3605 107.3140 111.3507 119.5046
12.0000 -29266.723958 75.9933 -88.7195 0.0000 15.1987 37.9966 75.9933 73.7665 84.4095 94.6642 102.0901 109.8141 113.7556 121.7499
13.0000 -29293.383185 53.1811 -76.4479 0.0000 10.6362 26.5905 53.1811 55.2617 67.3393 78.0199 85.5181 93.1904 97.0693 104.8795
14.0000 -29255.119020 64.4042 -179.7370 0.0000 12.8808 32.2021 64.4042 48.2713 55.9374 65.1675 72.2481 79.8127 83.7284 91.7553
15.0000 -29170.121876 77.3592 -128.1320 0.0000 15.4718 38.6796 77.3592 70.3558 80.4393 90.5741 97.9789 105.7062 109.6551 117.6715
16.0000 -29085.146993 113.0850 -246.7340 0.0000 22.6170 56.5426 113.0851 88.9828 95.7446 104.7452 111.7443 119.2490 123.1382 131.1130
17.0000 -29017.589631 90.4687 -139.8290 0.0000 18.0937 45.2343 90.4687 81.6285 90.8840 100.4489 107.4929 114.8726 118.6523 126.3379
18.0000 -28953.930852 60.1576 -96.0505 0.0000 12.0315 30.0788 60.1576 57.4600 68.2114 78.5598 86.0489 93.8360 97.8091 105.8664
19.0000 -28901.143408 70.8807 -114.0690 0.0000 14.1761 35.4404 70.8807 67.2601 78.5561 89.3190 97.0659 105.0947 109.1831 117.4606
20.0000 -28907.403846 74.4859 -91.9478 0.0000 14.8972 37.2430 74.4859 72.1358 82.3254 91.9979 98.9549 106.1633 109.8335 117.2644
21.0000 -28958.079895 47.1035 -50.8554 0.0000 9.4207 23.5518 47.1035 51.4943 63.2297 73.4296 80.5569 87.8346 91.5100 98.9050
22.0000 -29032.183707 72.3839 -114.2230 0.0000 14.4768 36.1919 72.3839 66.9764 77.3933 87.7822 95.3740 103.3024 107.3567 115.5918
23.0000 -29094.832221 90.6701 -116.6350 0.0000 18.1340 45.3350 90.6701 85.7785 97.0844 108.2224 116.3325 124.7875 129.1070 137.8742
24.0000 -29141.115932 86.7994 -102.0720 0.0000 17.3599 43.3997 86.7994 81.7002 91.1156 100.6184 107.5939 114.8969 118.6368 126.2422
25.0000 -29155.147240 110.4380 -237.7060 0.0000 22.0876 55.2190 110.4380 84.7665 90.0574 98.1114 104.5344 111.4958 115.1233 122.5911
26.0000 -29143.691604 98.9811 -203.8320 0.0000 19.7962 49.4906 98.9811 78.3546 84.2487 92.2247 98.4567 105.1547 108.6302 115.7638
27.0000 -29098.029375 89.9756 -200.4950 0.0000 17.9951 44.9878 89.9756 73.1072 81.6472 91.3374 98.6059 106.2721 110.2100 118.2316
28.0000 -29023.842974 77.2812 -103.1570 0.0000 15.4562 38.6406 77.2812 73.0385 83.4135 93.6674 101.1471 108.9537 112.9447 121.0503
29.0000 -28935.989052 53.2876 -45.2663 0.0000 10.6575 26.6438 53.2876 59.5928 72.4587 83.4194 91.0234 98.7586 102.6566 110.4864
30.0000 -28863.102366 40.9832 -98.1916 0.0000 8.1966 20.4916 40.9832 39.2417 50.8006 61.6717 69.4766 77.5585 81.6723 89.9997
31.0000 -28831.223096 90.2168 -196.6670 0.0000 18.0434 45.1084 90.2168 71.9823 79.4843 88.6498 95.6709 103.1560 107.0243 114.9420
32.0000 -28890.720118 105.3010 -109.8610 0.0000 21.0601 52.6503 105.3005 101.1871 111.7669 122.0479 129.5043 137.2647 141.2262 149.2629
33.0000 -29018.375794 60.2632 -105.7430 0.0000 12.0526 30.1316 60.2632 56.1243 67.0072 77.7564 85.6027 93.7971 97.9882 106.5032
34.0000 -29187.271794 69.2889 -76.3067 0.0000 13.8578 34.6444 69.2889 69.6015 81.1446 91.8815 99.5728 107.5306 111.5798 119.7746
35.0000 -29348.620152 67.3001 -101.7600 0.0000 13.4600 33.6500 67.3001 63.6297 73.6287 83.2986 90.2978 97.5743 101.2864 108.8136
36.0000 -29439.630931 82.0483 -108.9030 0.0000 16.4097 41.0241 82.0483 76.9547 86.8299 96.6633 103.8489 111.3552 115.1946 122.9957
37.0000 -29466.428585 53.6170 -96.1385 0.0000 10.7234 26.8085 53.6170 50.5283 60.1136 69.2133 75.7446 82.5004 85.9362 92.8856
38.0000 -29424.228513 84.5564 -75.0954 0.0000 16.9113 42.2782 84.5564 84.4641 94.8511 104.4591 111.3211 118.4086 122.0113 129.2970
39.0000 -29326.748628 78.7328 -63.8957 0.0000 15.7466 39.3664 78.7328 81.2201 93.2455 104.1117 111.8207 119.7575 123.7849 131.9182
40.0000 -29177.666459 80.3856 -109.8690 0.0000 16.0771 40.1928 80.3856 74.3895 83.7137 93.2227 100.2243 107.5662 111.3295 118.9883
41.0000 -28986.224504 80.9453 -96.0117 0.0000 16.1891 40.4727 80.9453 78.0436 87.8653 97.2090 103.9312 110.8969 114.4437 121.6252
42.0000 -28824.684202 93.9723 -114.2630 0.0000 18.7945 46.9862 93.9723 88.9682 99.5253 109.9147 117.4698 125.3391 129.3570 137.5081
43.0000 -28726.111724 68.7034 -150.3560 0.0000 13.7407 34.3517 68.7034 57.7893 66.5720 75.9841 82.9784 90.3350 94.1103 101.7979
44.0000 -28697.926565 35.9563 -82.9639 0.0000 7.1913 17.9782 35.9563 34.7659 45.2727 55.0993 62.1269 69.3836 73.0705 80.5214
45.0000 -28755.537912 92.0587 -249.2250 0.0000 18.4117 46.0293 92.0587 65.8175 71.4115 79.6849 86.2415 93.3268 97.0130 104.5926
46.0000 -28929.698211 113.0620 -297.6660 0.0000 22.6125 56.5312 113.0623 82.5501 88.0319 96.2576 102.7515 109.7470 113.3790 120.8340
47.0000 -29138.450265 96.4273 -173.9840 0.0000 19.2855 48.2136 96.4273 81.0864 89.1132 98.5211 105.6705 113.2669 117.1859 125.1970
48.0000 -29379.938232 60.8711 -87.1571 0.0000 12.1742 30.4355 60.8711 60.4704 72.3972 83.5128 91.4760 99.7145 103.9063 112.3894
49.0000 -29544.772353 82.8586 -116.0930 0.0000 16.5717 41.4293 82.8586 77.8729 88.1129 98.1346 105.4119 112.9885 116.8566 124.7042
50.0000 -29582.821735 89.9641 -166.3700 0.0000 17.9928 44.9820 89.9641 75.7056 83.8227 93.1969 100.3033 107.8487 111.7407 119.6965
51.0000 -29509.296795 79.1520 -100.8290 0.0000 15.8304 39.5760 79.1520 75.3909 85.8539 96.0720 103.4903 111.2120 115.1533 123.1475
52.0000 -29311.264574 86.9646 -160.8230 0.0000 17.3929 43.4823 86.9646 75.3930 84.3160 93.7545 100.7204 108.0157 111.7497 119.3364
53.0000 -29059.164235 55.3238 -86.2517 0.0000 11.0648 27.6619 55.3238 55.2941 66.7909 77.3031 84.7739 92.4681 96.3724 104.2565
54.0000 -28777.604330 58.8045 -70.8338 0.0000 11.7609 29.4023 58.8045 61.2888 73.1343 83.5723 90.8923 98.3786 102.1623 109.7796
55.0000 -28572.664233 63.8747 -93.8812 0.0000 12.7749 31.9374 63.8747 62.5475 73.5405 83.7167 90.9726 98.4565 102.2571 109.9362
56.0000 -28469.062688 82.3896 -178.2140 0.0000 16.4779 41.1948 82.3896 69.3383 78.8083 88.8765 96.3109 104.0965 108.0808 116.1747
57.0000 -28541.113166 67.5732 -94.6968 0.0000 13.5146 33.7866 67.5732 65.9430 77.0503 87.4288 94.8545 102.5277 106.4285 114.3167
58.0000 -28774.998886 62.0554 -101.2270 0.0000 12.4111 31.0277 62.0554 60.0811 71.3091 81.7406 89.1792 96.8491 100.7429 108.6077
59.0000 -29094.346228 66.1028 -117.3690 0.0000 13.2206 33.0514 66.1028 59.7781 69.2486 78.8217 85.8436 93.1909 96.9523 104.5995
60.0000 -29411.164362 66.0683 -66.3027 0.0000 13.2137 33.0342 66.0683 68.3705 80.1042 90.5824 97.9683 105.5416 109.3748 117.0995
61.0000 -29687.759338 90.1724 -198.9210 0.0000 18.0345 45.0862 90.1724 73.9858 82.9045 92.8863 100.3619 108.2460 112.2968 120.5508
62.0000 -29817.729684 85.4214 -108.5520 0.0000 17.0843 42.7107 85.4214 82.2908 93.3858 103.8687 111.3866 119.1615 123.1154 131.1124
63.0000 -29742.172871 79.1277 -140.5810 0.0000 15.8255 39.5639 79.1277 70.2267 80.1167 90.3429 97.8745 105.7638 109.8037 118.0167
64.0000 -29508.562945 88.9199 -139.0060 0.0000 17.7840 44.4600 88.9199 78.8527 87.5208 96.8549 103.8140 111.1489 114.9180 122.6015
65.0000 -29179.719737 85.9790 -110.0580 0.0000 17.1958 42.9895 85.9790 81.0509 91.2853 101.3537 108.6670 116.2777 120.1613 128.0362
66.0000 -28842.860501 92.6029 -109.4570 0.0000 18.5206 46.3014 92.6029 86.4292 95.9132 105.6824 112.9019 120.4867 124.3787 132.3059
67.0000 -28590.429917 58.5526 -125.5120 0.0000 11.7105 29.2763 58.5526 51.3431 60.6034 70.0192 76.9309 84.1639 87.8668 95.3947
68.0000 -28452.424752 119.1900 -193.1480 0.0000 23.8380 59.5949 119.1898 100.2969 107.0666 115.7255 122.4269 129.6036 133.3214 140.9439
69.0000 -28484.127524 75.7850 -106.7960 0.0000 15.1570 37.8925 75.7850 69.9324 79.4776 89.2550 96.4644 104.0284 107.9065 115.7996
70.0000 -28685.807638 103.5090 -199.6180 0.0000 20.7018 51.7545 103.5090 85.0626 92.3450 101.2052 107.9675 115.1582 118.8682 126.4509
71.0000 -28987.126541 76.5806 -97.7534 0.0000 15.3161 38.2903 76.5806 73.2569 84.1283 94.7350 102.4364 110.4533 114.5454 122.8451
72.0000 -29289.652138 63.8916 -108.7880 0.0000 12.7783 31.9458 63.8916 61.7495 73.0998 83.5643 91.0081 98.6754 102.5660 110.4220
73.0000 -29520.443897 59.7414 -103.1260 0.0000 11.9483 29.8707 59.7414 56.9319 67.7966 78.0964 85.5021 93.1748 97.0814 104.9912
74.0000 -29614.278004 97.8240 -183.0160 0.0000 19.5648 48.9120 97.8240 83.9565 92.7658 102.2437 109.2580 116.6107 120.3755 128.0266
75.0000 -29597.886181 116.7260 -199.6220 0.0000 23.3452 58.3630 116.7261 97.0755 104.2406 113.4780 120.6537 128.3549 132.3493 140.5472
76.0000 -29429.311850 97.9626 -137.8660 0.0000 19.5925 48.9813 97.9626 87.3256 95.3777 104.2445 110.8967 117.9305 121.5515 128.9437
77.0000 -29165.402705 74.2107 -85.2298 0.0000 14.8421 37.1054 74.2107 73.1209 83.7530 93.6736 100.7719 108.1079 111.8377 119.3810
78.0000 -28880.233715 84.2681 -139.8110 0.0000 16.8536 42.1341 84.2681 73.1701 81.3861 90.5447 97.4400 104.7419 108.5036 116.1867
79.0000 -28700.611925 78.4015 -63.2497 0.0000 15.6803 39.2007 78.4015 81.5305 94.0722 105.2844 113.2019 121.3309 125.4488 133.7531
80.0000 -28653.028310 92.7420 -102.1700 0.0000 18.5484 46.3710 92.7420 88.7584 99.0352 109.1182 116.4552 124.1037 128.0114 135.9440
81.0000 -28758.209119 94.7716 -178.6060 0.0000 18.9543 47.3858 94.7716 78.7242 86.7992 96.3948 103.7192 111.5205 115.5512 123.8004
82.0000 -28955.972653 80.9912 -108.7660 0.0000 16.1982 40.4956 80.9912 76.1028 85.4923 94.6766 101.3359 108.2617 111.7950 118.9596
83.0000 -29163.507984 90.6414 -124.1790 0.0000 18.1283 45.3207 90.6414 82.7529 92.0409 101.7311 108.9022 116.4366 120.3022 128.1738
84.0000 -29335.130919 86.8501 -132.2980 0.0000 17.3700 43.4250 86.8501 77.0150 85.6177 95.0269 102.0888 109.5605 113.4087 121.2682
85.0000 -29423.483485 67.0893 -129.4850 0.0000 13.4179 33.5446 67.0893 59.4635 69.5475 79.8846 87.4918 95.4613 99.5433 107.8443
86.0000 -29419.262046 90.9857 -113.8310 0.0000 18.1971 45.4928 90.9857 86.1436 96.4661 106.5596 113.8851 121.5094 125.4009 133.2947
87.0000 -29321.214888 73.7595 -103.6920 0.0000 14.7519 36.8798 73.7595 70.6630 81.9049 92.7370 100.5783 108.7332 112.8946 121.3349
88.0000 -29157.877499 70.2492 -114.7470 0.0000 14.0498 35.1246 70.2492 66.9351 78.2506 88.8803 96.4833 104.3338 108.3222 116.3823
89.0000 -29008.713270 80.2753 -134.7910 0.0000 16.0551 40.1376 80.2753 70.9798 80.1629 89.9638 97.2683 104.9710 108.9311 117.0080
90.0000 -28900.636058 100.9860 -123.5610 0.0000 20.1971 50.4928 100.9856 93.1931 102.4133 112.0213 119.1299 126.5984 130.4300 138.2322
91.0000 -28809.459335 69.7317 -126.7530 0.0000 13.9463 34.8658 69.7317 63.0349 73.5259 84.0670 91.7770 99.8301 103.9480 112.3120
92.0000 -28802.119017 54.8816 -74.5460 0.0000 10.9763 27.4408 54.8816 56.6550 68.7790 79.6690 87.3629 95.2626 99.2644 107.3347
93.0000 -28863.879986 103.1970 -73.4964 0.0000 20.6394 51.5985 103.1970 104.5330 116.4470 127.3174 135.0511 143.0243 147.0732 155.2551
94.0000 -28991.699703 67.4987 -72.0585 0.0000 13.4997 33.7493 67.4987 69.4439 81.9382 93.2687 101.3092 109.5854 113.7840 122.2605
95.0000 -29137.989270 59.8882 -97.8911 0.0000 11.9776 29.9441 59.8882 57.2741 67.7949 77.7770 84.9561 92.3946 96.1822 103.8510
96.0000 -29264.398234 93.6948 -186.7470 0.0000 18.7390 46.8474 93.6948 77.3860 84.9952 93.9576 100.7676 108.0017 111.7334 119.3611
97.0000 -29333.950048 70.8556 -77.3035 0.0000 14.1711 35.4278 70.8556 71.5894 83.4238 94.3199 102.0967 110.1277 114.2098 122.4647
98.0000 -29338.139793 48.1560 -84.7247 0.0000 9.6312 24.0780 48.1560 48.3960 60.0681 70.7192 78.2839 86.0725 90.0241 98.0033
99.0000 -29287.919704 66.9448 -132.1370 0.0000 13.3890 33.4724 66.9448 58.1042 67.2666 76.9311 84.1023 91.6457 95.5181 103.4067
100.0000 -29200.629855 68.4365 -96.2609 0.0000 13.6873 34.2182 68.4365 66.1968 77.3147 87.8871 95.5007 103.3945 107.4150 115.5567
101.0000 -29060.849683 51.0778 -63.3819 0.0000 10.2156 25.5389 51.0778 54.5692 66.7631 77.4597 84.9566 92.6231 96.4978 104.2984
102.0000 -28952.895806 75.6653 -62.2714 0.0000 15.1331 37.8327 75.6653 79.3172 92.0135 103.2609 111.1807 119.3019 123.4133 131.7014
103.0000 -28917.785078 89.8309 -169.7380 0.0000 17.9662 44.9154 89.8309 74.3299 81.5470 90.2776 96.9729 104.1210 107.8192 115.3960
104.0000 -28915.118375 71.3003 -86.1721 0.0000 14.2601 35.6501 71.3003 68.4142 77.5954 86.4941 92.9431 99.6523 103.0763 110.0216
105.0000 -28931.271114 71.0791 -85.0593 0.0000 14.2158 35.5396 71.0791 70.1250 80.6920 90.4972 97.4978 104.7239 108.3952 115.8158
106.0000 -28972.061953 77.7264 -113.2420 0.0000 15.5453 38.8632 77.7264 73.2719 83.3460 92.9762 99.8940 107.0500 110.6889 118.0476
107.0000 -29042.919536 57.6257 -128.6160 0.0000 11.5251 28.8128 57.6257 49.6029 58.9925 68.7677 76.0032 83.6086 87.5119 95.4631
108.0000 -29115.741550 52.0674 -81.2048 0.0000 10.4135 26.0337 52.0674 51.8757 63.4388 74.2307 81.9666 89.9725 94.0465 102.2922
109.0000 -29219.446255 80.7992 -91.5272 0.0000 16.1598 40.3996 80.7992 77.8628 88.3199 98.5383 105.9715 113.7205 117.6797 125.7176
110.0000 -29298.862046 49.5485 -82.0551 0.0000 9.9097 24.7742 49.5485 50.0706 62.1053 73.1276 80.9686 89.0483 93.1494 101.4325
111.0000 -29346.020327 66.3422 -83.3842 0.0000 13.2684 33.1711 66.3422 66.0376 77.3640 87.8638 95.3668 103.1174 107.0572 115.0237
112.0000 -29322.064368 81.8913 -100.2470 0.0000 16.3783 40.9457 81.8913 79.1883 90.5061 101.3908 109.2697 117.4648 121.6471 130.1308
113.0000 -29239.897855 54.1488 -124.8590 0.0000 10.8298 27.0744 54.1488 47.7855 58.4276 69.0582 76.8158 84.9069 89.0406 97.4297
114.0000 -29140.589390 71.6263 -118.8620 0.0000 14.3253 35.8132 71.6263 65.9130 76.2808 86.5379 93.9993 101.7693 105.7356 113.7801
115.0000 -29035.106798 57.7250 -131.3090 0.0000 11.5450 28.8625 57.7250 50.7029 60.6082 70.4782 77.6663 85.1548 88.9783 96.7347
116.0000 -28948.424107 75.7445 -53.0719 0.0000 15.1489 37.8722 75.7445 79.9524 92.3544 103.3459 111.0944 119.0464 123.0744 131.1980
117.0000 -28901.830273 71.8703 -76.9286 0.0000 14.3741 35.9351 71.8703 70.9759 81.3902 91.2129 98.2700 105.5783 109.2981 116.8274
118.0000 -28905.073526 80.9253 -103.2270 0.0000 16.1851 40.4627 80.9253 75.6514 85.2449 95.0205 102.2287 109.7962 113.6781 121.5835
119.0000 -28943.441669 56.1254 -120.7000 0.0000 11.2251 28.0627 56.1254 47.7147 56.1170 65.0994 71.7936 78.8506 82.4779 89.8741
120.0000 -28995.044213 69.3678 -124.9330 0.0000 13.8736 34.6839 69.3678 60.7850 69.8220 79.4568 86.6337 94.1983 98.0859 106.0121
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