# 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 = 0.9"
@ 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 -28875.961731 79.8439 81.1269 -103.5498 -87.5810 -63.6279 -23.7059 -37.6447 -28.9905 -19.2101 -11.8354 -4.0241 0.0000 8.2181
1.0000 -28913.238178 -9.3829 24.7848 19502.9936 19501.1170 19498.3021 19493.6106 207.5432 43.6308 8.8393 0.7851 -0.8143 0.0000 3.8496
2.0000 -28912.310204 30.8372 -20.4212 1220067068.9700 1220067075.1400 1220067084.3900 1220067099.8100 516.1439 117.2666 34.5842 11.7453 1.8305 0.0000 0.5364
3.0000 -28907.123146 -174.3930 -62.0053 1988666482210.0000 1988666482180.0000 1988666482130.0000 1988666482040.0000 840.8480 188.5272 58.7675 21.9188 4.2680 0.0000 -2.5101
4.0000 -28911.366194 252.9460 -60.9634 4947754.4622 4947805.0515 4947880.9355 4948007.4087 831.3450 190.3959 59.3818 22.0419 4.2429 0.0000 -2.3184
5.0000 -28924.856937 -185.0140 -82.1277 4339825908840.0000 4339825908810.0000 4339825908750.0000 4339825908660.0000 900.2888 214.5984 69.2623 26.6119 5.4343 0.0000 -3.9997
6.0000 -28982.996196 208.4980 -51.4003 354699394.1570 354699435.8570 354699498.4060 354699602.6550 712.7436 165.3951 51.6506 19.0891 3.6273 0.0000 -1.7853
7.0000 -29044.648199 -28.2592 -66.2998 85907855.1260 85907849.4742 85907840.9964 85907826.8669 836.8867 192.6035 60.7175 22.8424 4.5098 0.0000 -2.8512
8.0000 -29090.009093 14.5582 -14.7019 255769.7251 255772.6368 255777.0042 255784.2833 477.1256 110.6832 32.3644 10.7040 1.5309 0.0000 1.0766
9.0000 -29111.614148 206.3130 -62.2636 434992100693.0000 434992100734.0000 434992100796.0000 434992100899.0000 838.4004 188.6023 58.7905 21.9345 4.2777 0.0000 -2.5508
10.0000 -29101.480753 34.4600 -41.4699 3121852.9550 3121859.8470 3121870.1850 3121887.4150 629.4913 148.0812 45.9256 16.6941 3.0499 0.0000 -1.0372
11.0000 -29060.610168 -43.7160 -74.5239 2399452795.6200 2399452786.8800 2399452773.7700 2399452751.9100 835.2388 198.3645 63.8544 24.4506 4.9600 0.0000 -3.5349
12.0000 -28986.561744 -131.0050 -14.6243 60309816306.4000 60309816280.2000 60309816240.9000 60309816175.4000 533.1435 114.9003 32.6716 10.6792 1.5180 0.0000 1.0286
13.0000 -28915.882853 -40.8102 -44.9292 41658958.7411 41658950.5790 41658938.3360 41658917.9309 690.2012 161.4131 49.9664 18.1427 3.3092 0.0000 -1.1093
14.0000 -28858.692396 194.7040 -78.4782 95124176292.5000 95124176331.5000 95124176389.9000 95124176487.2000 898.6276 212.3255 68.1637 26.0225 5.2492 0.0000 -3.6373
15.0000 -28851.892806 2.7481 -82.3492 470606859.7450 470606860.2940 470606861.1190 470606862.4930 992.4764 222.1873 70.1837 26.7532 5.4454 0.0000 -4.0565
16.0000 -28912.915000 -13.1113 -29.7120 339791251.1040 339791248.4820 339791244.5490 339791237.9930 567.7271 129.6155 39.0892 13.7602 2.3514 0.0000 -0.2190
17.0000 -29025.750066 22.9601 -18.2089 1221433.1863 1221437.7783 1221444.6664 1221456.1464 542.4090 122.3096 35.5852 11.8599 1.7604 0.0000 0.8819
18.0000 -29145.075521 -7.8554 -36.5379 2476807.2046 2476805.6335 2476803.2769 2476799.3491 601.1902 142.7149 44.0488 15.8041 2.7922 0.0000 -0.5685
19.0000 -29209.853589 251.9050 -67.2642 861965275.5340 861965325.9150 861965401.4870 861965527.4390 847.1986 193.3806 60.7881 22.8946 4.5462 0.0000 -2.9972
20.0000 -29193.063349 697.0240 -77.3644 284048880.5040 284049019.9090 284049229.0160 284049577.5280 880.1970 205.4110 65.8161 25.1995 5.1289 0.0000 -3.7448
21.0000 -29123.429410 191.3670 -69.8331 6512839406.7200 6512839444.9900 6512839502.4000 6512839598.0900 818.6924 194.1497 62.1629 23.6123 4.7143 0.0000 -3.0959
22.0000 -28993.861160 -80.0600 -70.2736 721090676.3510 721090660.3390 721090636.3210 721090596.2910 798.8992 191.3207 61.5032 23.4512 4.7149 0.0000 -3.2101
23.0000 -28843.524704 6.2038 -29.4818 6568212406.7700 6568212408.0100 6568212409.8700 6568212412.9700 619.5487 139.6332 41.7701 14.5423 2.4171 0.0000 0.0556
24.0000 -28747.123221 -616.1220 -68.5906 42035597081500.0000 42035597081400.0000 42035597081200.0000 42035597080900.0000 824.5023 193.1097 61.5273 23.3086 4.6398 0.0000 -3.0157
25.0000 -28722.885784 -132.9000 -73.2505 3926492281.6700 3926492255.0900 3926492215.2200 3926492148.7700 841.1102 197.2997 63.1616 24.1184 4.8810 0.0000 -3.4644
26.0000 -28782.757691 548.4420 -46.9575 1264582467.1600 1264582576.8500 1264582741.3800 1264583015.6000 718.8702 164.5606 50.7422 18.4790 3.4103 0.0000 -1.3241
27.0000 -28900.572700 -2.5692 -32.2849 12801209.6137 12801209.0999 12801208.3292 12801207.0446 612.6399 138.8849 41.8089 14.7354 2.5332 0.0000 -0.3132
28.0000 -29028.480448 50.4128 -54.4879 59682175388900.0000 59682175388900.0000 59682175388900.0000 59682175388900.0000 784.1792 177.8469 55.0805 20.2859 3.8466 0.0000 -1.8996
29.0000 -29117.440526 192.1880 -17.5390 100174182.7820 100174221.2190 100174278.8760 100174374.9690 560.9716 121.8479 34.9016 11.5454 1.7026 0.0000 0.8559
30.0000 -29117.970238 490.6840 -58.3449 13095813834.8000 13095813932.9000 13095814080.1000 13095814325.4000 791.5160 182.1868 56.9431 21.1469 4.0670 0.0000 -2.1931
31.0000 -29061.906037 107.5110 -67.0184 9538525.7998 9538547.3020 9538579.5551 9538633.3104 818.5887 188.7628 59.8358 22.6485 4.5186 0.0000 -3.0058
32.0000 -29008.935200 -169.3340 -77.8116 131916270.0040 131916236.1370 131916185.3370 131916100.6700 951.1443 214.4605 67.6376 25.6784 5.1831 0.0000 -3.7106
33.0000 -28942.280987 -5.8384 -53.1427 15577806.2216 15577805.0539 15577803.3024 15577800.3832 681.8070 163.4051 51.8461 19.3478 3.7191 0.0000 -1.9264
34.0000 -28907.312159 51.1378 -9.1948 11830991.8323 11831002.0598 11831017.4012 11831042.9701 474.1902 106.7838 30.3876 9.6845 1.2364 0.0000 1.5628
35.0000 -28856.035842 67.9146 -69.2434 146058793.9130 146058807.4960 146058827.8700 146058861.8270 830.1877 191.7660 60.8882 23.1154 4.6412 0.0000 -3.1960
36.0000 -28829.444183 79.8577 -57.5715 218832033161.0000 218832033177.0000 218832033201.0000 218832033241.0000 770.8396 176.5134 55.2109 20.5663 3.9842 0.0000 -2.2589
37.0000 -28809.772638 205.7300 -68.6519 7438761578.4500 7438761619.5900 7438761681.3100 7438761784.1800 806.9179 188.2523 59.9902 22.8199 4.5931 0.0000 -3.1937
38.0000 -28830.968009 117.6410 -78.7446 234610087.7280 234610111.2560 234610146.5490 234610205.3690 849.0845 204.7214 66.2695 25.4903 5.2091 0.0000 -3.8358
39.0000 -28865.122222 352.0630 -13.8248 101358529297.0000 101358529368.0000 101358529473.0000 101358529649.0000 465.7509 107.3372 31.2908 10.3147 1.4625 0.0000 1.0843
40.0000 -28898.664494 0.7921 -11.0396 696643.3758 696643.5342 696643.7719 696644.1679 436.0791 99.6763 28.8843 9.4101 1.2795 0.0000 1.2309
41.0000 -28939.905585 -74.6705 -31.6893 140899762.3430 140899747.4090 140899725.0070 140899687.6720 560.0990 131.3627 40.0723 14.2266 2.4677 0.0000 -0.3565
42.0000 -28980.828256 24.4374 -35.9338 3020620436.7900 3020620441.6800 3020620449.0100 3020620461.2300 681.1332 153.5394 46.2245 16.3105 2.8114 0.0000 -0.3726
43.0000 -29016.653813 155.5560 -55.7151 3236345041.7200 3236345072.8300 3236345119.5000 3236345197.2800 687.4282 164.0836 52.3192 19.6762 3.8420 0.0000 -2.2031
44.0000 -29048.517276 -133.5320 -5.9384 602137.8964 602111.1901 602071.1305 602004.3646 414.0912 93.3871 26.3286 8.2426 0.9848 0.0000 1.6061
45.0000 -29013.299927 -0.1271 -42.4063 5543994.1045 5543994.0790 5543994.0409 5543993.9774 691.5649 155.9836 47.6298 17.1934 3.1249 0.0000 -1.0595
46.0000 -28955.850493 136.2070 -39.3408 1755039489.9100 1755039517.1500 1755039558.0100 1755039626.1100 721.2754 159.3474 47.8845 17.0070 2.9953 0.0000 -0.6835
47.0000 -28941.524250 70.5338 -44.5176 4852860944.1900 4852860958.2900 4852860979.4500 4852861014.7200 739.5308 162.0473 49.0500 17.7045 3.2438 0.0000 -1.2445
48.0000 -28930.322667 549.6110 -47.9518 16420377757.2000 16420377867.2000 16420378032.0000 16420378306.9000 749.8530 167.3646 51.1458 18.6023 3.4523 0.0000 -1.4681
49.0000 -28949.685599 93.0858 -55.1421 229223677.4280 229223696.0460 229223723.9710 229223770.5140 736.7613 172.4411 54.0601 20.0747 3.8530 0.0000 -2.0405
50.0000 -28960.466999 -52.0607 -72.5585 1423158.9801 1423148.5680 1423132.9497 1423106.9194 845.5933 200.2359 64.0367 24.3433 4.8782 0.0000 -3.2904
51.0000 -28966.688586 -10.0854 -46.6392 3474307.5032 3474305.4861 3474302.4605 3474297.4178 735.3768 165.4261 50.5459 18.3387 3.3814 0.0000 -1.3505
52.0000 -28979.279728 -1263.5200 -9.7035 939127788563.0000 939127788310.0000 939127787931.0000 939127787299.0000 500.8392 110.3397 31.1811 9.9266 1.2752 0.0000 1.5475
53.0000 -28990.199308 45.9171 -48.2505 41218846.2704 41218855.4538 41218869.2290 41218892.1875 660.3474 155.7088 48.8079 18.0379 3.4176 0.0000 -1.6309
54.0000 -28987.226032 240.2220 -22.3456 355978726.4380 355978774.4820 355978846.5490 355978966.6600 620.9024 135.3120 39.1894 13.1739 2.0276 0.0000 0.6455
55.0000 -28963.897083 250.3560 -40.8816 2061119804.6700 2061119854.7400 2061119929.8400 2061120055.0200 648.3037 153.8481 47.4923 17.1157 3.0681 0.0000 -0.8278
56.0000 -28940.165806 165.5780 -50.3446 3195065712.2400 3195065745.3500 3195065795.0300 3195065877.8200 779.9726 172.7156 52.8755 19.2963 3.6037 0.0000 -1.6026
57.0000 -28946.733877 -166.5480 -51.6842 2528438.6272 2528405.3177 2528355.3534 2528272.0796 654.3992 159.9337 50.9614 19.0077 3.6370 0.0000 -1.8027
58.0000 -28925.413765 246.2760 -34.1411 31908004.1432 31908053.3985 31908127.2814 31908250.4196 659.9262 143.9198 42.8581 15.1104 2.6297 0.0000 -0.5057
59.0000 -28863.204990 -18.0782 -63.0379 1282473176.1000 1282473172.4900 1282473167.0600 1282473158.0200 846.2462 191.9085 59.9333 22.3498 4.3458 0.0000 -2.5293
60.0000 -28845.488030 -19.7017 -8.5891 167560769.0110 167560765.0700 167560759.1600 167560749.3090 467.4963 102.9798 28.9729 9.1772 1.1639 0.0000 1.4767
61.0000 -28880.530534 144.0140 -41.8651 287036335.8400 287036364.6430 287036407.8470 287036479.8540 642.1082 149.3423 46.2503 16.8161 3.0755 0.0000 -1.0573
62.0000 -28922.257212 -58.3860 -54.4026 20910859632000.0000 20910859632000.0000 20910859632000.0000 20910859631900.0000 800.3311 182.1537 56.3486 20.6700 3.8806 0.0000 -1.7646
63.0000 -28990.245592 970.3360 -39.0909 25802929.3897 25803123.4569 25803414.5578 25803899.7260 653.1985 149.4668 45.6751 16.4016 2.9344 0.0000 -0.7975
64.0000 -29049.506119 -642.7310 -46.4195 32158415884.8000 32158415756.3000 32158415563.5000 32158415242.1000 713.4526 162.2494 50.0009 18.2180 3.3667 0.0000 -1.3229
65.0000 -29081.504634 1.3974 -47.6533 796472913.3680 796472913.6480 796472914.0670 796472914.7660 730.8264 165.3023 50.7848 18.5072 3.4352 0.0000 -1.4356
66.0000 -29090.930106 -51.5107 -20.5032 332538635.5820 332538625.2800 332538609.8270 332538584.0720 459.4512 107.8599 32.2971 11.1052 1.7754 0.0000 0.3446
67.0000 -29064.452984 -81.3905 -64.3826 107633879.3700 107633863.0920 107633838.6750 107633797.9800 804.3196 188.0653 59.5438 22.3951 4.4023 0.0000 -2.6847
68.0000 -29038.733577 -97.6439 -42.4178 210447840.5010 210447820.9720 210447791.6790 210447742.8570 699.7589 156.4361 47.5562 17.1428 3.1184 0.0000 -1.0918
69.0000 -29016.481811 79.5879 -46.3710 22498996.6720 22499012.5896 22499036.4659 22499076.2599 603.4925 147.8266 47.0237 17.4575 3.3024 0.0000 -1.4864
70.0000 -28983.381379 208.3740 -57.2560 168223999990.0000 168224000032.0000 168224000094.0000 168224000198.0000 664.2710 165.0389 53.2675 20.1280 3.9431 0.0000 -2.2695
71.0000 -28998.152750 14.7038 -65.8714 21037830.9049 21037833.8457 21037838.2568 21037845.6087 799.6406 187.1749 59.6137 22.5496 4.4721 0.0000 -2.8416
72.0000 -28999.888487 -106.3110 -49.0551 1293086194.7900 1293086173.5300 1293086141.6300 1293086088.4800 709.4437 165.0976 51.3341 18.8291 3.5194 0.0000 -1.5177
73.0000 -28999.217106 -36.9291 -68.0148 54911701.5001 54911694.1143 54911683.0356 54911664.5710 810.7770 192.4164 61.3468 23.2120 4.6096 0.0000 -2.9660
74.0000 -28981.360837 -79.2626 -50.5838 708448047.3200 708448031.4680 708448007.6890 708447968.0580 715.2456 170.3643 53.3210 19.5750 3.6470 0.0000 -1.4975
75.0000 -28937.944149 48.9444 -42.9690 1429376.5349 1429386.3238 1429401.0071 1429425.4793 642.2845 151.6969 47.1286 17.1618 3.1473 0.0000 -1.1170
76.0000 -28879.035903 -37.4673 -43.7284 523954803.8000 523954796.3060 523954785.0660 523954766.3330 775.2058 170.9853 51.5093 18.3899 3.2808 0.0000 -0.9168
77.0000 -28824.282513 -522.0240 -78.9413 18404774259000.0000 18404774258900.0000 18404774258700.0000 18404774258500.0000 886.8838 210.0873 67.6067 25.8885 5.2529 0.0000 -3.7480
78.0000 -28813.253097 -261.0580 -60.7592 31493914.4983 31493862.2866 31493783.9691 31493653.4400 818.5833 187.0677 58.3496 21.7049 4.2028 0.0000 -2.3989
79.0000 -28837.563000 -83.1639 -42.7183 2114119841.9600 2114119825.3300 2114119800.3800 2114119758.8000 688.7773 157.4186 48.2408 17.4207 3.1590 0.0000 -1.0256
80.0000 -28910.948660 -53.2961 -43.6122 9862516.3645 9862505.7053 9862489.7164 9862463.0684 628.8030 150.7197 47.1674 17.2519 3.1810 0.0000 -1.1686
81.0000 -29040.329916 -268.2070 -33.1587 247937010659.0000 247937010605.0000 247937010525.0000 247937010390.0000 657.2368 146.6449 43.7628 15.3385 2.6180 0.0000 -0.2807
82.0000 -29125.132190 54.7900 -51.9716 1760439186.8600 1760439197.8200 1760439214.2500 1760439241.6500 803.0054 181.5153 55.7696 20.3066 3.7587 0.0000 -1.5237
83.0000 -29151.924736 -56.6959 -41.0019 33930087653.0000 33930087641.7000 33930087624.7000 33930087596.3000 727.9010 161.5024 48.7226 17.3828 3.0903 0.0000 -0.8112
84.0000 -29111.561097 136.7510 -0.6559 338515554.5370 338515581.8870 338515622.9120 338515691.2880 420.2001 89.3614 24.0984 7.1304 0.6872 0.0000 2.0147
85.0000 -29058.071525 130.9950 -76.7037 94602077.5374 94602103.7364 94602143.0350 94602208.5326 905.2423 210.9203 67.1949 25.5509 5.1375 0.0000 -3.5477
86.0000 -28981.643164 -85.7460 -49.6182 33619692.7931 33619675.6439 33619649.9201 33619607.0472 712.9590 162.6329 50.4262 18.5628 3.5119 0.0000 -1.6981
87.0000 -28874.735282 -85.3234 -35.5035 4973433.5750 4973416.5103 4973390.9133 4973348.2516 602.0397 140.2384 42.8373 15.3063 2.7038 0.0000 -0.6004
88.0000 -28778.876533 30.2415 -58.7630 1856679125.0100 1856679131.0500 1856679140.1300 1856679155.2500 797.0920 180.4810 56.2203 20.9227 4.0581 0.0000 -2.3408
89.0000 -28782.594705 -514.4520 -48.1999 2633819.3583 2633716.4680 2633562.1325 2633304.9067 689.4568 161.5689 50.3743 18.4964 3.4587 0.0000 -1.4861
90.0000 -28842.394195 381.7290 -65.6874 4995498.0889 4995574.4347 4995688.9534 4995879.8180 829.4941 191.1371 60.2888 22.6789 4.4733 0.0000 -2.8055
91.0000 -28896.700941 91.6325 -56.3933 255169184.6480 255169202.9750 255169230.4640 255169276.2810 795.7902 181.1859 56.2225 20.7614 3.9590 0.0000 -2.0374
92.0000 -28951.749142 -428.7650 -83.4761 367054119687.0000 367054119601.0000 367054119472.0000 367054119258.0000 948.2539 218.1509 69.7834 26.7920 5.4946 0.0000 -4.1740
93.0000 -28979.424528 643.7930 -77.5347 1034216881950.0000 1034216882070.0000 1034216882270.0000 1034216882590.0000 854.2754 204.1451 65.9719 25.3238 5.1514 0.0000 -3.7002
94.0000 -28998.734645 335.7680 -40.8942 6501029.4371 6501096.5906 6501197.3209 6501365.2048 647.8219 150.3524 46.3244 16.7509 3.0333 0.0000 -0.9447
95.0000 -29027.857807 -45.0614 -47.5193 9294757.8097 9294748.7974 9294735.2790 9294712.7483 707.1082 161.6271 49.8846 18.2443 3.4066 0.0000 -1.4895
96.0000 -29045.468654 -74.4651 -41.8237 927876.4741 927861.5810 927839.2415 927802.0089 594.4289 140.8369 44.0484 16.1718 3.0142 0.0000 -1.2419
97.0000 -29017.081691 79.7686 -47.4467 338256.7482 338272.7019 338296.6325 338336.5168 690.9421 157.6219 48.7351 17.8921 3.3706 0.0000 -1.5877
98.0000 -28969.844963 -342.2120 -51.8081 668598255682.0000 668598255614.0000 668598255511.0000 668598255340.0000 714.4439 164.9806 51.5519 19.0881 3.6418 0.0000 -1.8448
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