# 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 = 0.85"
@ 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 -29005.570450 79.8439 79.7933 -99.5257 -83.5569 -59.6038 -19.6818 -33.6206 -24.9664 -15.1860 -7.8113 0.0000 4.0241 12.2422
1.0000 -29016.697496 48.4872 -87.7107 115064472.0630 115064481.7600 115064496.3070 115064520.5500 650.5552 148.8664 44.2629 14.2445 0.0000 -3.3228 -4.8872
2.0000 -29038.260394 61.4457 -96.3026 116042185.9140 116042198.2030 116042216.6370 116042247.3600 668.8941 157.9082 47.6177 15.4634 0.0000 -3.6774 -5.5734
3.0000 -29063.335152 16.3212 -45.8536 902273.0985 902276.3628 902281.2591 902289.4197 461.8375 105.7014 29.8198 8.8513 0.0000 -1.4566 -0.3429
4.0000 -29052.361828 -352.8530 -91.5711 351973957962000.0000 351973957962000.0000 351973957962000.0000 351973957962000.0000 692.5352 156.2697 46.1478 14.8302 0.0000 -3.4836 -5.2424
5.0000 -29023.767850 -135.4690 -49.5817 936092564.4420 936092537.3480 936092496.7070 936092428.9730 492.1578 110.2072 31.0260 9.2917 0.0000 -1.6358 -0.8690
6.0000 -28974.122505 48.6284 -109.9030 7865122988.5400 7865122998.2700 7865123012.8500 7865123037.1700 799.3384 181.3951 54.0596 17.5368 0.0000 -4.2294 -6.6570
7.0000 -28911.691340 41.0533 -120.4100 15989064.2038 15989072.4145 15989084.7305 15989105.2572 790.8180 185.1714 56.4809 18.6825 0.0000 -4.7298 -8.0137
8.0000 -28856.450387 -152.6670 -113.8000 17264108536.5000 17264108506.0000 17264108460.2000 17264108383.8000 779.4055 180.7940 54.6367 17.9086 0.0000 -4.4227 -7.2101
9.0000 -28835.399891 -434.3500 -95.9310 1779427724.5500 1779427637.6800 1779427507.3800 1779427290.2000 749.0506 166.5205 48.9338 15.6576 0.0000 -3.6250 -5.2956
10.0000 -28855.301434 247.5890 -38.4247 316144856315.0000 316144856364.0000 316144856438.0000 316144856562.0000 434.7981 96.3728 26.5611 7.7189 0.0000 -1.1668 0.1116
11.0000 -28886.827683 -199.9600 -106.1040 15151327581.2000 15151327541.2000 15151327481.2000 15151327381.2000 784.0040 178.0152 52.9075 17.0839 0.0000 -4.0519 -6.1778
12.0000 -28928.688773 -207.3470 -112.2890 203129439563.0000 203129439522.0000 203129439460.0000 203129439356.0000 784.4187 179.6563 54.0238 17.6775 0.0000 -4.3661 -7.1437
13.0000 -28967.669373 29.0627 -40.2622 22754912.0243 22754917.8368 22754926.5556 22754941.0869 438.1026 99.6749 27.8082 8.1129 0.0000 -1.2109 0.2368
14.0000 -29006.598237 -129.8180 -88.3678 9480946.9652 9480921.0016 9480882.0563 9480817.1474 706.4135 158.0659 46.2615 14.6786 0.0000 -3.2868 -4.4600
15.0000 -29048.620109 41.7029 -54.2871 34982300.5846 34982308.9251 34982321.4360 34982342.2874 598.6613 125.8437 34.6226 10.2611 0.0000 -1.7834 -0.9264
16.0000 -29086.201943 -1.6595 -38.3442 126814626.1660 126814625.8340 126814625.3360 126814624.5060 455.6963 98.7114 26.9786 7.7925 0.0000 -1.1481 0.2351
17.0000 -29103.815505 -69.9414 -77.6838 29132148575.0000 29132148561.0000 29132148540.0000 29132148505.0000 628.4666 141.8756 41.4457 13.0728 0.0000 -2.8549 -3.6458
18.0000 -29090.232496 -1194.0100 -103.4070 172696614.4980 172696375.6960 172696017.4930 172695420.4890 766.8007 170.9143 50.7281 16.4566 0.0000 -3.9908 -6.3627
19.0000 -29048.867808 -44.3121 -72.1521 5294855.1328 5294846.2704 5294832.9768 5294810.8208 603.5219 138.5825 40.3360 12.5501 0.0000 -2.5653 -2.6870
20.0000 -28945.871884 586.2200 -128.3270 99233313.7060 99233430.9500 99233606.8160 99233899.9260 887.3682 201.4807 60.6675 19.9620 0.0000 -5.0409 -8.5810
21.0000 -28844.361184 -884.8050 -117.5570 825444031046.0000 825444030869.0000 825444030604.0000 825444030161.0000 828.6054 188.9607 56.7584 18.5499 0.0000 -4.5618 -7.4048
22.0000 -28746.181182 40.8250 -68.9013 118916.6932 118924.8582 118937.1057 118957.5182 583.0201 132.7724 38.4309 11.9445 0.0000 -2.4630 -2.6917
23.0000 -28679.128783 -107.2580 -90.7152 37128649097.3000 37128649075.8000 37128649043.6000 37128648990.0000 696.2048 156.3262 46.1051 14.7793 0.0000 -3.4317 -5.0328
24.0000 -28669.607056 17.3770 -2.3617 6586741.9183 6586745.3937 6586750.6068 6586759.2953 301.0248 59.7570 13.7804 2.9589 0.0000 0.4096 3.7461
25.0000 -28713.578793 178.3790 -119.4510 46280594.1793 46280629.8551 46280683.3687 46280772.5582 782.1697 182.8878 55.8041 18.4822 0.0000 -4.7034 -8.0421
26.0000 -28815.808578 129.4230 -33.1025 131736.3692 131762.2539 131801.0808 131865.7923 421.1437 94.0466 25.5293 7.2064 0.0000 -0.8941 0.9726
27.0000 -28961.057230 153.0760 -31.8472 299059.8773 299090.4926 299136.4156 299212.9538 442.9664 95.4507 25.5039 7.1107 0.0000 -0.8288 1.1690
28.0000 -29104.178096 -44.4151 -89.5300 14103776.6639 14103767.7809 14103754.4564 14103732.2488 632.6759 148.2038 44.6066 14.4507 0.0000 -3.4026 -5.0470
29.0000 -29201.936105 -181.3840 -69.7770 28483289.6709 28483253.3940 28483198.9786 28483108.2864 624.7053 138.8150 39.7572 12.2564 0.0000 -2.4653 -2.5081
30.0000 -29241.994601 69.2494 -38.4695 1298281917.0900 1298281930.9400 1298281951.7200 1298281986.3400 450.7967 99.6842 27.3480 7.8870 0.0000 -1.1362 0.3656
31.0000 -29226.407986 9.7373 -38.3963 42049575.3526 42049577.3001 42049580.2213 42049585.0900 489.8892 104.9788 28.3357 8.0667 0.0000 -1.1000 0.6155
32.0000 -29139.512985 -14.3694 -42.8138 1190942.4131 1190939.5393 1190935.2285 1190928.0438 481.7355 105.5564 29.0882 8.4893 0.0000 -1.3230 -0.0580
33.0000 -29003.868608 207.7600 -82.4957 204275415.5970 204275457.1490 204275519.4770 204275623.3570 703.5308 156.7905 45.3076 14.1390 0.0000 -2.9838 -3.5066
34.0000 -28865.441986 -6.8660 -80.1580 250451498.0490 250451496.6750 250451494.6160 250451491.1830 669.9712 149.4723 43.3400 13.5948 0.0000 -2.9279 -3.6325
35.0000 -28786.777144 17.4173 -10.8228 2114672.0844 2114675.5679 2114680.7931 2114689.5017 347.3796 71.0019 17.3901 4.2039 0.0000 0.0655 3.0990
36.0000 -28750.213104 -83.2968 -75.3994 13217347622.2000 13217347605.5000 13217347580.5000 13217347538.9000 619.3355 139.7912 40.7424 12.7994 0.0000 -2.7480 -3.3545
37.0000 -28770.609096 -123.6420 -76.7491 2310935169.6300 2310935144.9000 2310935107.8100 2310935045.9900 623.3666 141.5514 41.3648 13.0122 0.0000 -2.7992 -3.4263
38.0000 -28851.946791 -373.5700 -75.6800 49819490.8706 49819416.1566 49819304.0855 49819117.3004 581.0087 135.5386 40.0679 12.7000 0.0000 -2.7823 -3.5382
39.0000 -28975.839919 1260.5200 -107.1200 798241970.3740 798242222.4780 798242600.6340 798243230.8930 772.0836 173.9055 51.9451 16.9333 0.0000 -4.1544 -6.7418
40.0000 -29106.015503 56.0504 -20.5806 1673969.2715 1673980.4816 1673997.2967 1674025.3220 426.1428 87.3615 22.1439 5.7423 0.0000 -0.3154 2.4590
41.0000 -29210.727722 354.0240 -60.2412 722933578.6150 722933649.4200 722933755.6280 722933932.6400 569.6068 124.6652 35.3441 10.7852 0.0000 -2.0897 -1.8672
42.0000 -29245.569845 59.7134 -69.3887 1924140.1574 1924152.1001 1924170.0141 1924199.8708 545.9557 127.7022 37.5813 11.8227 0.0000 -2.5154 -2.9640
43.0000 -29204.093356 231.6230 -79.2867 14661542560.1000 14661542606.4000 14661542675.9000 14661542791.7000 624.2955 142.2018 41.7807 13.2425 0.0000 -2.9319 -3.8564
44.0000 -29097.580052 33.9296 8.3675 44168.0219 44174.8078 44184.9867 44201.9515 230.2117 48.3538 10.4084 1.6843 0.0000 0.9176 5.1765
45.0000 -28966.067754 -11.3954 -14.4559 58379.7985 58377.5194 58374.1007 58368.4030 316.7007 69.2077 17.6774 4.4988 0.0000 -0.1252 2.4981
46.0000 -28829.433765 95.4224 -93.4396 3814285985940.0000 3814285985960.0000 3814285985990.0000 3814285986040.0000 655.6556 155.7881 46.8475 15.1393 0.0000 -3.5415 -5.2009
47.0000 -28748.293419 88.7682 -88.5500 38785585.9037 38785603.6574 38785630.2878 38785674.6719 691.5896 156.2534 45.9172 14.6204 0.0000 -3.3109 -4.6051
48.0000 -28754.183159 241.0030 -53.3730 326324388136.0000 326324388184.0000 326324388256.0000 326324388377.0000 543.9058 121.1724 33.9541 10.1136 0.0000 -1.7400 -0.7765
49.0000 -28818.770650 -214.7140 -96.5731 59053540.0747 59053497.1320 59053432.7179 59053325.3611 731.9753 165.4942 48.9036 15.6979 0.0000 -3.6604 -5.4146
50.0000 -28930.807543 65.2068 -93.8195 674026.1631 674039.2044 674058.7665 674091.3699 761.8435 167.6844 48.7879 15.4859 0.0000 -3.5158 -4.9676
51.0000 -29034.246536 -226.3730 -87.6814 6113761257000.0000 6113761256960.0000 6113761256890.0000 6113761256780.0000 690.0388 153.4836 45.0078 14.3677 0.0000 -3.3025 -4.7580
52.0000 -29082.414389 355.5660 -72.0264 2567353.7415 2567424.8547 2567531.5247 2567709.3079 573.1100 132.6913 38.9427 12.2499 0.0000 -2.6170 -3.1283
53.0000 -29057.845747 80.3354 -103.5090 17591537.9069 17591553.9740 17591578.0746 17591618.2423 734.1876 171.1743 51.3282 16.6320 0.0000 -3.9546 -6.0228
54.0000 -29004.066071 21.1624 -60.9851 11851908.9774 11851913.2098 11851919.5585 11851930.1397 567.5713 126.9443 36.2267 11.0382 0.0000 -2.0860 -1.6351
55.0000 -28959.759219 -64.0209 -80.4792 38804997.7472 38804984.9430 38804965.7368 38804933.7263 619.3874 144.7882 42.7801 13.5418 0.0000 -2.9516 -3.7070
56.0000 -28919.898906 386.7480 -62.6145 3986238021360.0000 3986238021440.0000 3986238021550.0000 3986238021750.0000 566.4004 128.1617 36.6982 11.2264 0.0000 -2.1642 -1.8625
57.0000 -28881.762516 -4.0646 -70.2382 1151740134.6800 1151740133.8700 1151740132.6500 1151740130.6200 595.0937 135.0115 39.1463 12.1779 0.0000 -2.5083 -2.7151
58.0000 -28837.245322 -136.0880 -97.4855 641509367.1700 641509339.9530 641509299.1260 641509231.0820 760.8459 170.6964 50.1613 16.0088 0.0000 -3.6632 -5.2154
59.0000 -28824.872704 -85.2395 -74.4439 621987189.7910 621987172.7430 621987147.1710 621987104.5510 629.1704 141.5813 40.9577 12.7766 0.0000 -2.6888 -3.1339
60.0000 -28864.681195 -708.0070 -68.9375 5538926920.0600 5538926778.4600 5538926566.0500 5538926212.0500 662.5841 143.0331 40.3282 12.2967 0.0000 -2.4051 -2.2625
61.0000 -28937.221187 15.7553 -58.5986 1576249561.2800 1576249564.4300 1576249569.1500 1576249577.0300 542.2812 119.7519 34.0405 10.4182 0.0000 -2.0482 -1.9428
62.0000 -29063.698654 -149.7640 -63.1891 6714901.1639 6714871.2111 6714826.2818 6714751.3997 591.1070 130.0855 36.9842 11.3013 0.0000 -2.1928 -1.9583
63.0000 -29195.237852 -143.6720 -77.8750 4917992999.8900 4917992971.1600 4917992928.0600 4917992856.2200 622.7716 142.1601 41.6255 13.1291 0.0000 -2.8555 -3.5983
64.0000 -29277.374972 -26.7972 -96.9170 3641668.3655 3641663.0061 3641654.9669 3641641.5683 717.7556 165.0403 49.0242 15.7596 0.0000 -3.6688 -5.3835
65.0000 -29281.400090 -127.6190 -103.5680 15777596.5434 15777571.0197 15777532.7342 15777468.9249 717.4045 167.5630 50.5464 16.4807 0.0000 -3.9866 -6.2500
66.0000 -29181.888746 607.9420 -106.7210 4298911410770.0000 4298911410890.0000 4298911411070.0000 4298911411380.0000 772.9257 177.2147 52.9304 17.1381 0.0000 -4.0814 -6.2483
67.0000 -29015.991339 -78.2994 -101.6180 1469558322.1000 1469558306.4400 1469558282.9500 1469558243.8000 763.9326 170.3013 50.4432 16.3002 0.0000 -3.8953 -6.0411
68.0000 -28806.445480 97.4333 -60.9539 392643003.2440 392643022.7310 392643051.9610 392643100.6770 574.4586 128.3729 36.4632 11.0735 0.0000 -2.0798 -1.6069
69.0000 -28608.107952 -208.4610 -95.0115 776035640937.0000 776035640895.0000 776035640833.0000 776035640728.0000 743.1621 165.7950 48.7077 15.5618 0.0000 -3.5787 -5.1509
70.0000 -28527.572176 792.7690 -36.3949 1571880.8648 1572039.4186 1572277.2492 1572673.6335 423.9001 95.8494 26.4178 7.5923 0.0000 -1.0454 0.5921
71.0000 -28594.146359 -93.9613 -75.1210 128028518.3970 128028499.6050 128028471.4160 128028424.4360 607.1338 138.5774 40.5273 12.7467 0.0000 -2.7374 -3.3332
72.0000 -28768.321487 332.4270 -142.3970 6557903554.0000 6557903620.4800 6557903720.2100 6557903886.4200 955.6190 216.0824 65.5598 21.7877 0.0000 -5.6641 -10.0689
73.0000 -28990.538516 117.2180 -74.3420 1022049997100.0000 1022049997120.0000 1022049997160.0000 1022049997220.0000 632.7542 140.2740 40.4895 12.6607 0.0000 -2.7070 -3.3104
74.0000 -29191.833621 9.0541 -20.7825 1938507574.7400 1938507576.5600 1938507579.2700 1938507583.8000 391.6240 83.4919 21.5420 5.6538 0.0000 -0.3418 2.3196
75.0000 -29338.882670 190.7060 -56.1389 441830.1320 441868.2732 441925.4849 442020.8378 529.7767 118.9356 33.7498 10.2317 0.0000 -1.9097 -1.4381
76.0000 -29377.549417 -115.1490 -118.6910 425859904.1700 425859881.1410 425859846.5960 425859789.0210 800.6597 184.9917 56.0781 18.4837 0.0000 -4.6523 -7.8337
77.0000 -29293.860907 -460.7010 -93.7248 11645764.6575 11645672.5173 11645534.3071 11645303.9567 742.9584 165.7110 48.5158 15.4432 0.0000 -3.5134 -4.9550
78.0000 -29125.462318 569.4140 -88.4668 146840325.7520 146840439.6350 146840610.4600 146840895.1670 703.5852 157.2361 46.0306 14.6302 0.0000 -3.3049 -4.5847
79.0000 -28884.981391 -274.7570 -112.8860 369660860111000.0000 369660860111000.0000 369660860111000.0000 369660860111000.0000 773.6996 178.3815 53.8431 17.6776 0.0000 -4.4074 -7.3223
80.0000 -28642.291923 -109.4770 -79.2167 473012235.9290 473012214.0330 473012181.1900 473012126.4520 609.9121 141.5618 41.8129 13.2619 0.0000 -2.9197 -3.7652
81.0000 -28476.197033 -9.0192 -75.3482 48482608.5890 48482606.7852 48482604.0794 48482599.5698 624.2522 139.0309 40.4441 12.7251 0.0000 -2.7609 -3.4743
82.0000 -28454.105864 0.3148 -116.7680 49652568.9002 49652568.9631 49652569.0576 49652569.2150 832.9581 188.7068 56.4244 18.4136 0.0000 -4.5386 -7.4347
83.0000 -28583.913244 -48.4883 -75.9403 5560645.5908 5560635.8931 5560621.3466 5560597.1025 650.9128 144.6952 41.6920 13.0006 0.0000 -2.7525 -3.2845
84.0000 -28824.905636 -404.2260 -89.2925 2561874677.3600 2561874596.5100 2561874475.2400 2561874273.1300 698.3314 156.9620 46.0971 14.6947 0.0000 -3.3493 -4.7310
85.0000 -29099.612518 -83.1194 -110.8180 121221486.5750 121221469.9520 121221445.0160 121221403.4560 792.4786 182.0143 54.3972 17.6648 0.0000 -4.2675 -6.7352
86.0000 -29332.306417 396.6690 -126.1880 172256257867.0000 172256257946.0000 172256258065.0000 172256258264.0000 876.9458 198.4689 59.6258 19.6103 0.0000 -4.9636 -8.5032
87.0000 -29503.293620 199.3940 -71.0257 223049457.8500 223049497.7290 223049557.5470 223049657.2440 582.4878 133.5261 38.9242 12.1782 0.0000 -2.5634 -2.9584
88.0000 -29521.995360 -149.9680 -50.2146 198457482.7440 198457452.7500 198457407.7600 198457332.7760 495.7808 113.6259 32.1467 9.5856 0.0000 -1.6168 -0.5469
89.0000 -29409.749560 83.3025 -100.8270 46577623.3191 46577639.9796 46577664.9704 46577706.6216 723.0956 167.4321 50.1107 16.2208 0.0000 -3.8489 -5.8442
90.0000 -29177.606635 -52.4320 -82.6899 245468806.1490 245468795.6630 245468779.9330 245468753.7170 619.0337 142.1436 42.2255 13.5409 0.0000 -3.1084 -4.4083
91.0000 -28907.564472 94.3270 -26.5515 267777744.4690 267777763.3340 267777791.6330 267777838.7960 432.6732 90.8848 23.7882 6.4462 0.0000 -0.5897 1.7670
92.0000 -28697.989053 679.9800 -111.6310 1216091594710.0000 1216091594850.0000 1216091595050.0000 1216091595390.0000 789.5701 180.3952 54.0706 17.6427 0.0000 -4.3285 -7.0152
93.0000 -28572.656963 5.0996 -104.1530 946674157.8820 946674158.9020 946674160.4320 946674162.9820 833.9080 183.4252 53.5202 17.0588 0.0000 -3.9289 -5.7152
94.0000 -28560.275892 -154.7750 -71.1862 8257506.2766 8257475.3215 8257428.8889 8257351.5012 547.5384 131.2098 38.8457 12.2126 0.0000 -2.5591 -2.8524
95.0000 -28649.045245 -50.8606 -106.5040 694025218.2260 694025208.0540 694025192.7950 694025167.3650 815.6728 181.6417 53.5295 17.2118 0.0000 -4.0598 -6.1627
96.0000 -28806.075008 5.1797 -115.3730 1700429.6413 1700430.6772 1700432.2311 1700434.8210 789.7281 184.2248 55.6142 18.1993 0.0000 -4.4764 -7.2575
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