# 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 = 1.0"
@ s2 legend "dH/d\xl\f{} vdw-lambda = 1.0"
@ 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 -28836.697285 79.8439 83.0960 -111.7679 -95.7991 -71.8460 -31.9240 -45.8628 -37.2086 -27.4282 -20.0535 -12.2422 -8.2181 0.0000
1.0000 -28881.282951 -151.8720 27.9596 1571726977.5400 1571726947.1700 1571726901.6100 1571726825.6700 549.5903 122.2600 35.3097 11.5715 1.3417 -0.5386 0.0000
2.0000 -28938.257524 162.1350 19.7000 210246159.2380 210246191.6650 210246240.3060 210246321.3730 634.2716 145.6029 44.6920 16.3421 3.3967 0.6219 0.0000
3.0000 -28962.938369 130.6480 6.5887 88004558012.3000 88004558038.4000 88004558077.6000 88004558142.9000 746.4655 178.8329 58.3972 23.4266 6.5112 2.4032 0.0000
4.0000 -28945.617842 176.5860 1.1163 26058467.8973 26058503.2144 26058556.1901 26058644.4830 829.6266 200.5813 66.5773 27.3721 8.1016 3.2646 0.0000
5.0000 -28873.133694 -18.2762 8.2649 2536909.1899 2536905.5347 2536900.0518 2536890.9137 724.8531 177.1115 58.1262 23.2656 6.3684 2.2855 0.0000
6.0000 -28824.780355 391.6380 12.7490 137787974.0060 137788052.3340 137788169.8250 137788365.6440 728.0411 166.9587 52.6126 20.2584 5.0709 1.5715 0.0000
7.0000 -28802.897058 53.9201 1.9418 404901994.7490 404902005.5330 404902021.7090 404902048.6690 764.7357 189.0086 63.1391 25.9665 7.6412 3.0482 0.0000
8.0000 -28801.090720 -532.4830 -12.0755 45638864564.9000 45638864458.4000 45638864298.7000 45638864032.5000 1031.5291 246.0175 83.2309 35.4782 11.4821 5.1501 0.0000
9.0000 -28808.666530 -320.8840 4.5001 54144436.1227 54144371.9459 54144275.6808 54144115.2389 872.8871 203.9740 66.3676 26.7926 7.6420 2.9403 0.0000
10.0000 -28832.223798 111.0990 8.1580 27833811.2154 27833833.4353 27833866.7650 27833922.3146 817.9087 193.5150 62.8463 25.0852 6.8887 2.4967 0.0000
11.0000 -28877.388618 -1.5938 25.0160 1628791560.1100 1628791559.7900 1628791559.3100 1628791558.5200 629.2329 141.1322 42.2658 14.8115 2.5501 0.0725 0.0000
12.0000 -28950.150626 100.6660 29.8669 332659366.1450 332659386.2780 332659416.4770 332659466.8100 481.0658 114.1419 33.7012 11.0026 1.0993 -0.6991 0.0000
13.0000 -29048.759267 -95.9676 25.0067 32176488.8668 32176469.6733 32176440.8830 32176392.8992 577.2086 133.3415 40.0871 13.9715 2.3102 -0.0236 0.0000
14.0000 -29107.699458 -113.0900 6.1947 1845715.2530 1845692.6350 1845658.7079 1845602.1628 766.3098 182.3689 59.4278 23.8555 6.6612 2.4786 0.0000
15.0000 -29097.850254 -797.9260 -3.4539 18209907302.7000 18209907143.1000 18209906903.7000 18209906504.8000 947.1934 225.1953 74.9085 31.1564 9.5445 4.0252 0.0000
16.0000 -29044.361574 547.9270 -15.7070 8124342966.8100 8124343076.4000 8124343240.7700 8124343514.7400 991.3862 240.9158 82.6092 35.6806 11.8332 5.4372 0.0000
17.0000 -28949.631336 -3359.0200 13.1566 8333053869860000.0000 8333053869860000.0000 8333053869860000.0000 8333053869860000.0000 715.7993 165.3384 52.2312 20.1056 5.0060 1.5312 0.0000
18.0000 -28860.013657 123.9520 10.6175 48906492.5551 48906517.3454 48906554.5309 48906616.5068 732.0493 173.7052 55.9762 22.0152 5.7903 1.9536 0.0000
19.0000 -28777.246944 -113.4980 1.8818 336391427.6840 336391404.9840 336391370.9350 336391314.1860 821.4223 195.7301 64.4863 26.3673 7.7302 3.0811 0.0000
20.0000 -28745.720578 -42.1801 -5.8294 31041843.8637 31041835.4277 31041822.7737 31041801.6836 950.8264 223.4945 74.5543 31.2398 9.7466 4.1999 0.0000
21.0000 -28745.507543 167.8760 14.0163 10471014252.6000 10471014286.2000 10471014336.5000 10471014420.5000 675.8411 155.1809 48.7258 18.5786 4.4877 1.2868 0.0000
22.0000 -28791.899538 211.6250 13.0499 68824056188.8000 68824056231.1000 68824056294.6000 68824056400.4000 763.6600 180.6225 57.9467 22.6042 5.7923 1.8618 0.0000
23.0000 -28861.241315 -23.2891 5.8903 57232301.6566 57232296.9988 57232290.0120 57232278.3675 851.2890 200.5117 65.2828 26.2675 7.3979 2.7900 0.0000
24.0000 -28943.406269 -81.0782 7.9624 3272177.0082 3272160.7925 3272136.4691 3272095.9300 728.3401 174.1456 56.6844 22.6049 6.1710 2.2128 0.0000
25.0000 -29031.947268 -201.5610 16.1447 23354888.2955 23354847.9834 23354787.5151 23354686.7346 749.9404 168.0148 52.0553 19.6288 4.6195 1.2545 0.0000
26.0000 -29127.159897 147.3630 32.9320 25171981197.0000 25171981226.5000 25171981270.7000 25171981344.4000 514.6925 112.9880 31.5935 9.5829 0.3913 -1.1160 0.0000
27.0000 -29140.584705 129.1880 26.8865 1764236753.1500 1764236778.9900 1764236817.7500 1764236882.3400 611.6636 136.6945 40.3142 13.7655 2.0839 -0.1928 0.0000
28.0000 -29104.919422 158.4040 22.4209 29262396.5808 29262428.2615 29262475.7827 29262554.9846 642.8888 145.1889 43.8898 15.6969 2.9934 0.3509 0.0000
29.0000 -29029.132689 -41.0220 0.6342 4851630.5291 4851622.3247 4851610.0181 4851589.5071 887.2351 204.0026 66.4414 27.1088 7.9996 3.2315 0.0000
30.0000 -28934.196169 318.1010 -1.8857 4151649842.6400 4151649906.2600 4151650001.6900 4151650160.7400 825.7422 199.0626 66.5322 27.6593 8.4116 3.5073 0.0000
31.0000 -28830.651292 8.9541 6.5228 564584.1463 564585.9372 564588.6234 564593.1004 804.7416 188.5507 61.0215 24.4023 6.7825 2.5124 0.0000
32.0000 -28761.492342 -163.3910 -12.1069 1472589.4023 1472556.7242 1472507.7070 1472426.0116 987.3252 238.5287 81.0205 34.6140 11.2358 5.0523 0.0000
33.0000 -28745.165284 101.3510 1.3452 20642872.6834 20642892.9537 20642923.3591 20642974.0348 810.9198 191.7860 63.0728 25.7995 7.5907 3.0431 0.0000
34.0000 -28756.525333 -37.9193 4.1974 36583946.9570 36583939.3732 36583927.9974 36583909.0377 758.9960 180.3196 59.0365 23.8905 6.8185 2.6195 0.0000
35.0000 -28841.507431 -16.3064 6.4028 1711684007.9900 1711684004.7300 1711683999.8400 1711683991.6800 744.6482 177.1426 57.8201 23.2143 6.4657 2.3928 0.0000
36.0000 -28987.767779 65.2449 20.7170 9520132.6997 9520145.7487 9520165.3222 9520197.9447 599.5119 139.4909 42.8799 15.5702 3.1094 0.4687 0.0000
37.0000 -29071.797720 -161.0670 -7.4838 227941968.9870 227941936.7740 227941888.4540 227941807.9210 834.8853 202.3210 68.5724 29.0808 9.2556 4.0685 0.0000
38.0000 -29113.316898 135.3900 8.1381 31339864.1615 31339891.2395 31339931.8565 31339999.5516 795.4647 184.7997 59.4806 23.6045 6.4252 2.3044 0.0000
39.0000 -29115.363091 -780.7810 0.9021 23530667700.5000 23530667544.3000 23530667310.1000 23530666919.7000 912.4396 214.6132 70.6637 28.9763 8.5747 3.4624 0.0000
40.0000 -29089.674227 -1.6638 8.2833 125251791.1790 125251790.8460 125251790.3470 125251789.5150 765.2164 180.7819 58.5434 23.2827 6.3366 2.2658 0.0000
41.0000 -29024.235393 19.3726 4.6248 352015.2015 352019.0760 352024.8878 352034.5741 783.3226 191.5685 63.2944 25.7086 7.3536 2.8254 0.0000
42.0000 -28940.776753 -35.8600 -0.1812 2053605515.1100 2053605507.9400 2053605497.1800 2053605479.2500 913.2125 206.3706 66.8702 27.2821 8.0934 3.2983 0.0000
43.0000 -28855.188161 -144.9030 21.1720 25961564.9505 25961535.9699 25961492.4990 25961420.0475 612.4486 136.8994 41.2450 14.7235 2.7948 0.3181 0.0000
44.0000 -28807.383276 157.8830 17.3485 33417412.8250 33417444.4017 33417491.7666 33417570.7082 753.9314 167.1696 51.3953 19.2039 4.3969 1.1162 0.0000
45.0000 -28800.608606 57.7164 10.9750 15004749.3247 15004760.8679 15004778.1829 15004807.0410 657.2947 157.4872 50.6422 19.7896 5.0999 1.6581 0.0000
46.0000 -28829.512574 -532.8330 0.1727 8801112.0004 8801005.4338 8800845.5840 8800579.1675 926.2101 213.3998 69.5575 28.4215 8.4213 3.4206 0.0000
47.0000 -28910.456553 -132.5380 11.6771 247916211244.0000 247916211218.0000 247916211178.0000 247916211112.0000 799.3322 188.1244 60.4005 23.6999 6.2082 2.0822 0.0000
48.0000 -29026.216238 112.0530 4.1050 36004831.9787 36004854.3892 36004888.0050 36004944.0314 843.9850 195.1405 63.1842 25.4582 7.2585 2.7967 0.0000
49.0000 -29095.278020 15.8193 1.5885 10773962.1538 10773965.3176 10773970.0634 10773977.9731 749.9309 184.2395 61.4141 25.2536 7.4462 2.9809 0.0000
50.0000 -29123.286213 9.5725 12.6975 223747120.2610 223747122.1750 223747125.0470 223747129.8330 758.0502 175.1615 55.4940 21.4836 5.4486 1.7290 0.0000
51.0000 -29099.550279 53.7441 -3.3487 2005932.3653 2005943.1141 2005959.2373 2005986.1094 957.5043 226.4615 75.2616 31.2963 9.5821 4.0374 0.0000
52.0000 -29025.966270 -152.3990 -4.2258 10326263068.6000 10326263038.1000 10326262992.4000 10326262916.2000 774.0258 193.7093 65.9736 27.8223 8.6696 3.7089 0.0000
53.0000 -28903.923892 132.6940 8.7192 276763682.3280 276763708.8660 276763748.6750 276763815.0210 823.5667 188.3545 60.0980 23.7041 6.3886 2.2630 0.0000
54.0000 -28816.015186 -16.3147 -5.1463 4180852.2003 4180848.9374 4180844.0430 4180835.8856 894.5355 212.0800 70.8155 29.6486 9.2236 3.9604 0.0000
55.0000 -28755.052644 -50.4021 -2.9998 7864617002.7000 7864616992.6200 7864616977.5000 7864616952.3000 870.4629 209.0159 69.7814 29.0603 8.9002 3.7474 0.0000
56.0000 -28784.648444 290.1520 -4.1627 34947862910.2000 34947862968.2000 34947863055.3000 34947863200.3000 895.8005 212.9011 71.0573 29.6765 9.1658 3.9001 0.0000
57.0000 -28880.451744 214.4280 1.1322 40270180.6691 40270223.5548 40270287.8833 40270395.0974 836.7079 193.8607 63.4679 25.9424 7.6426 3.0717 0.0000
58.0000 -29017.989464 86.2320 -1.3381 82085326.2430 82085343.4894 82085369.3590 82085412.4750 820.6656 198.2320 66.2538 27.5064 8.3293 3.4532 0.0000
59.0000 -29128.370977 185.3330 10.6910 7452386106.5900 7452386143.6500 7452386199.2500 7452386291.9200 733.0381 172.5939 55.4354 21.7556 5.7008 1.9132 0.0000
60.0000 -29185.383667 32.4607 -7.6576 94692916832.9000 94692916839.4000 94692916849.1000 94692916865.4000 902.6951 212.6914 71.2542 30.0564 9.5263 4.1800 0.0000
61.0000 -29177.899290 -33.0127 25.5136 5842677043.2000 5842677036.6000 5842677026.7000 5842677010.1900 509.7821 116.4051 34.4177 11.5975 1.5679 -0.3453 0.0000
62.0000 -29146.869073 263.0080 -4.8373 83358624.7420 83358677.3435 83358756.2459 83358887.7499 957.0272 223.4933 73.9967 30.8126 9.5199 4.0644 0.0000
63.0000 -29101.223610 -100.7900 -4.7128 16724435.4586 16724415.3007 16724385.0637 16724334.6688 872.1040 207.5497 69.2506 28.9519 8.9804 3.8438 0.0000
64.0000 -29015.333391 -425.8830 23.5461 1146593.1476 1146507.9709 1146380.2059 1146167.2643 601.1712 137.5021 41.5184 14.6804 2.6247 0.1602 0.0000
65.0000 -28940.393784 334.9570 6.6999 17120745.0269 17120812.0182 17120912.5053 17121079.9837 768.9818 180.0922 58.2472 23.2534 6.4291 2.3618 0.0000
66.0000 -28851.881492 -42.0843 8.4674 7186046.6912 7186038.2743 7186025.6490 7186004.6069 801.7389 190.9978 61.8992 24.6281 6.7176 2.4127 0.0000
67.0000 -28836.862665 106.7230 -4.3050 138662161.3220 138662182.6660 138662214.6830 138662268.0450 884.5271 210.3000 70.1404 29.2881 9.0530 3.8581 0.0000
68.0000 -28872.681676 -163.8310 1.3414 5726154.8471 5726122.0810 5726072.9318 5725991.0165 855.8440 201.9249 66.3875 27.1596 7.9960 3.2085 0.0000
69.0000 -28925.670467 240.8190 1.9765 745603994.7270 745604042.8910 745604115.1370 745604235.5460 814.1235 194.7183 64.3346 26.3357 7.7230 3.0760 0.0000
70.0000 -28987.266839 -112.5170 18.1876 80218011542.7000 80218011520.2000 80218011486.4000 80218011430.2000 653.9426 148.2303 45.6531 16.8761 3.6670 0.7906 0.0000
71.0000 -29039.952985 430.9670 4.3429 170534633825.0000 170534633911.0000 170534634040.0000 170534634256.0000 793.3519 187.4838 61.2152 24.7412 7.0546 2.7091 0.0000
72.0000 -29095.635123 -82.4184 8.7335 13642680360.5000 13642680344.1000 13642680319.3000 13642680278.1000 713.7070 160.4291 50.7628 19.8583 5.2425 1.7957 0.0000
73.0000 -29154.158961 66.9242 4.7938 7845357.1698 7845370.5546 7845390.6319 7845424.0940 808.9292 189.6312 61.6125 24.8054 7.0265 2.6777 0.0000
74.0000 -29200.900905 516.4730 -7.9736 46313143733.1000 46313143836.4000 46313143991.3000 46313144249.6000 981.8219 233.1524 78.1725 32.9457 10.4126 4.5537 0.0000
75.0000 -29190.787363 -620.7900 15.4929 6832332417.4900 6832332293.3300 6832332107.0900 6832331796.7000 758.4542 172.2218 53.8472 20.4890 4.9376 1.4116 0.0000
76.0000 -29142.946101 86.5029 26.5443 24705077.6395 24705094.9401 24705120.8910 24705164.1425 631.7320 143.2875 42.8333 14.8938 2.4593 -0.0242 0.0000
77.0000 -29059.328441 82.4700 3.4070 90929514.5341 90929531.0281 90929555.7691 90929597.0041 793.5866 189.1055 62.2093 25.3141 7.3123 2.8534 0.0000
78.0000 -28950.467760 57.0604 -11.6109 2730430582.0000 2730430593.4100 2730430610.5300 2730430639.0600 1028.1694 246.7567 83.3856 35.4714 11.4372 5.1121 0.0000
79.0000 -28836.559031 67.7543 14.2245 9606892.7853 9606906.3362 9606926.6624 9606960.5396 763.7741 172.2850 53.9022 20.6103 5.0616 1.5101 0.0000
80.0000 -28774.418348 121.6220 6.4984 83451032508.2000 83451032532.5000 83451032569.0000 83451032629.8000 818.5015 190.3282 61.6313 24.6765 6.8731 2.5517 0.0000
81.0000 -28805.135913 20.2888 9.3895 247620697.0070 247620701.0650 247620707.1510 247620717.2960 764.7183 175.9697 56.1214 22.0464 5.8559 2.0219 0.0000
82.0000 -28870.556942 208.3500 7.8068 125521619.1220 125521660.7920 125521723.2980 125521827.4730 759.0226 179.3971 58.1621 23.1744 6.3398 2.2855 0.0000
83.0000 -28947.367840 28.1045 17.1997 40985166.6231 40985172.2440 40985180.6754 40985194.7276 641.0169 153.6481 48.6240 18.3874 4.2340 1.0672 0.0000
84.0000 -29046.617445 -139.2360 9.4527 430838627.4260 430838599.5780 430838557.8080 430838488.1900 815.0286 183.7046 58.2406 22.8402 6.0726 2.1053 0.0000
85.0000 -29135.291633 -123.3600 19.7119 240591171.0370 240591146.3650 240591109.3570 240591047.6770 645.5403 152.2325 47.4192 17.5705 3.7880 0.7855 0.0000
86.0000 -29176.784775 404.6790 -8.1440 54785410108.0000 54785410188.9000 54785410310.3000 54785410512.6000 968.1941 229.2325 76.8600 32.4171 10.2666 4.5006 0.0000
87.0000 -29156.102826 -374.7540 1.3952 115223286567.0000 115223286492.0000 115223286380.0000 115223286193.0000 869.1043 201.5497 65.9369 26.9193 7.9103 3.1699 0.0000
88.0000 -29076.798768 123.8030 -3.0326 33475380504.4000 33475380529.1000 33475380566.3000 33475380628.2000 845.7299 205.8881 69.2512 28.9505 8.8954 3.7512 0.0000
89.0000 -28944.199878 11.2542 6.2380 29457080.4566 29457082.7075 29457086.0837 29457091.7108 789.9257 185.8094 60.3954 24.2297 6.7668 2.5196 0.0000
90.0000 -28819.966321 -130.6620 22.6277 252859983.8530 252859957.7210 252859918.5220 252859853.1910 542.0863 123.1754 36.7466 12.7585 2.1052 -0.0189 0.0000
91.0000 -28734.807915 -36.3929 15.4295 3749984395.0800 3749984387.8000 3749984376.8800 3749984358.6900 694.2384 159.4549 49.8072 18.8523 4.4569 1.2183 0.0000
92.0000 -28728.534346 -169.8200 19.8298 21018361.9505 21018327.9864 21018277.0403 21018192.1301 631.8941 143.8886 44.0741 16.0812 3.3126 0.5833 0.0000
93.0000 -28783.936809 105.3970 9.2182 24573761.2822 24573782.3615 24573813.9806 24573866.6789 749.6971 175.8102 56.4875 22.2847 5.9554 2.0717 0.0000
94.0000 -28864.735576 104.9920 -4.9501 1436467517.6200 1436467538.6200 1436467570.1100 1436467622.6100 864.2189 209.1759 70.4816 29.6235 9.2329 3.9621 0.0000
95.0000 -28946.430022 28.0220 -4.3483 43273894.7442 43273900.3486 43273908.7552 43273922.7662 882.0008 208.0792 69.2362 28.8911 8.9317 3.8094 0.0000
96.0000 -29020.667010 -131.5590 -5.7220 834866.3546 834840.0428 834800.5752 834734.7959 906.1983 214.4864 71.5610 29.9769 9.3543 4.0341 0.0000
97.0000 -29087.787857 205.5670 -7.1455 41111566.6188 41111607.7322 41111669.4022 41111772.1856 912.2443 220.2466 74.2770 31.3552 9.8989 4.3160 0.0000
98.0000 -29132.263650 -214.0410 -19.9597 1798668308.4700 1798668265.6600 1798668201.4500 1798668094.4300 1077.1773 260.7667 89.6084 38.9337 13.1045 6.1172 0.0000
99.0000 -29158.996444 -222.9000 9.3846 250489681.5420 250489636.9620 250489570.0920 250489458.6420 751.2833 179.0681 58.0685 23.0288 6.1914 2.1661 0.0000
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