# 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 = 0.8"
@ s2 legend "dH/d\xl\f{} vdw-lambda = 0.0"
@ s3 legend "\xD\f{}H \xl\f{} to (0, 0)"
@ s4 legend "\xD\f{}H \xl\f{} to (0.1, 0)"
@ s5 legend "\xD\f{}H \xl\f{} to (0.2, 0)"
@ s6 legend "\xD\f{}H \xl\f{} to (0.3, 0)"
@ s7 legend "\xD\f{}H \xl\f{} to (0.4, 0)"
@ s8 legend "\xD\f{}H \xl\f{} to (0.5, 0)"
@ s9 legend "\xD\f{}H \xl\f{} to (0.6, 0)"
@ s10 legend "\xD\f{}H \xl\f{} to (0.7, 0)"
@ s11 legend "\xD\f{}H \xl\f{} to (0.8, 0)"
@ s12 legend "\xD\f{}H \xl\f{} to (0.9, 0)"
@ s13 legend "\xD\f{}H \xl\f{} to (1, 0)"
@ s14 legend "\xD\f{}H \xl\f{} to (1, 0.1)"
@ s15 legend "\xD\f{}H \xl\f{} to (1, 0.2)"
@ s16 legend "\xD\f{}H \xl\f{} to (1, 0.3)"
@ s17 legend "\xD\f{}H \xl\f{} to (1, 0.35)"
@ s18 legend "\xD\f{}H \xl\f{} to (1, 0.4)"
@ s19 legend "\xD\f{}H \xl\f{} to (1, 0.45)"
@ s20 legend "\xD\f{}H \xl\f{} to (1, 0.5)"
@ s21 legend "\xD\f{}H \xl\f{} to (1, 0.55)"
@ s22 legend "\xD\f{}H \xl\f{} to (1, 0.58)"
@ s23 legend "\xD\f{}H \xl\f{} to (1, 0.6)"
@ s24 legend "\xD\f{}H \xl\f{} to (1, 0.62)"
@ s25 legend "\xD\f{}H \xl\f{} to (1, 0.64)"
@ s26 legend "\xD\f{}H \xl\f{} to (1, 0.66)"
@ s27 legend "\xD\f{}H \xl\f{} to (1, 0.68)"
@ s28 legend "\xD\f{}H \xl\f{} to (1, 0.7)"
@ s29 legend "\xD\f{}H \xl\f{} to (1, 0.72)"
@ s30 legend "\xD\f{}H \xl\f{} to (1, 0.74)"
@ s31 legend "\xD\f{}H \xl\f{} to (1, 0.76)"
@ s32 legend "\xD\f{}H \xl\f{} to (1, 0.78)"
@ s33 legend "\xD\f{}H \xl\f{} to (1, 0.8)"
@ s34 legend "\xD\f{}H \xl\f{} to (1, 0.82)"
@ s35 legend "\xD\f{}H \xl\f{} to (1, 0.84)"
@ s36 legend "\xD\f{}H \xl\f{} to (1, 0.86)"
@ s37 legend "\xD\f{}H \xl\f{} to (1, 0.88)"
@ s38 legend "\xD\f{}H \xl\f{} to (1, 0.92)"
@ s39 legend "\xD\f{}H \xl\f{} to (1, 0.96)"
@ s40 legend "\xD\f{}H \xl\f{} to (1, 1)"
0.0000 -28974.378115 79.8439 -169.8430 -63.8751 -55.8907 -47.9063 -39.9220 -31.9376 -23.9532 -15.9688 -7.9844 0.0000 7.9844 15.9688 4.7486 1.2143 2.0300 3.5054 5.5031 7.9222 10.6842 13.7268 15.6660 17.0004 18.3652 19.7581 21.1773 22.6207 24.0866 25.5733 27.0794 28.6034 30.1441 31.7002 33.2705 34.8541 36.4500 38.0571 41.3019 44.5823 47.8928
0.4000 -28983.912088 17.4181 -104.7200 -13.9345 -12.1927 -10.4509 -8.7090 -6.9672 -5.2254 -3.4836 -1.7418 0.0000 1.7418 3.4836 -2.1520 -1.8347 1.5054 3.8665 6.5503 9.4870 12.6239 15.9205 17.9617 19.3452 20.7452 22.1602 23.5891 25.0307 26.4840 27.9479 29.4216 30.9042 32.3950 33.8934 35.3985 36.9099 38.4269 39.9490 43.0068 46.0795 49.1642
0.8000 -28999.834836 20.8274 -121.1350 -16.6619 -14.5792 -12.4965 -10.4137 -8.3310 -6.2482 -4.1655 -2.0827 0.0000 2.0827 4.1655 -3.4035 -5.0028 -3.3131 -1.6794 0.3334 2.6484 5.2063 7.9607 9.6922 10.8751 12.0788 13.3017 14.5424 15.7994 17.0716 18.3577 19.6567 20.9676 22.2894 23.6214 24.9626 26.3125 27.6702 29.0352 31.7845 34.5563 37.3466
1.2000 -29010.834940 21.4624 -87.6801 -17.1700 -15.0237 -12.8775 -10.7312 -8.5850 -6.4387 -4.2925 -2.1462 0.0000 2.1462 4.2925 -0.3527 0.1049 3.1552 5.2696 7.6574 10.2581 13.0264 15.9275 17.7205 18.9345 20.1620 21.4019 22.6530 23.9145 25.1854 26.4650 27.7524 29.0470 30.3482 31.6553 32.9678 34.2853 35.6072 36.9331 39.5954 42.2693 44.9522
1.6000 -29036.524159 21.5314 -72.5997 -17.2251 -15.0720 -12.9188 -10.7657 -8.6126 -6.4594 -4.3063 -2.1531 0.0000 2.1531 4.3063 0.5426 1.2871 4.4527 6.6066 9.0322 11.6729 14.4856 17.4365 19.2621 20.4992 21.7506 23.0154 24.2924 25.5807 26.8793 28.1874 29.5043 30.8292 32.1614 33.5004 34.8455 36.1963 37.5522 38.9128 41.6464 44.3938 47.1525
2.0000 -29057.073456 11.4845 -94.3927 -9.1876 -8.0391 -6.8907 -5.7422 -4.5938 -3.4453 -2.2969 -1.1484 0.0000 1.1484 2.2969 -3.1703 -3.5884 -1.3446 0.3978 2.4328 4.6984 7.1473 9.7432 11.3591 12.4574 13.5710 14.6986 15.8391 16.9915 18.1547 19.3280 20.5105 21.7014 22.9001 24.1059 25.3183 26.5366 27.7605 28.9893 31.4601 33.9460 36.4442
2.4000 -29082.618999 33.0230 -76.1150 -26.4184 -23.1161 -19.8138 -16.5115 -13.2092 -9.9069 -6.6046 -3.3023 0.0000 3.3023 6.6046 2.6478 3.3424 6.4858 8.6263 11.0342 13.6522 16.4366 19.3539 21.1569 22.3778 23.6124 24.8595 26.1181 27.3873 28.6661 29.9538 31.2496 32.5528 33.8628 35.1789 36.5008 37.8277 39.1594 40.4953 43.1781 45.8734 48.5785
2.8000 -29104.463087 9.0158 -98.2353 -7.2127 -6.3111 -5.4095 -4.5079 -3.6063 -2.7048 -1.8032 -0.9016 0.0000 0.9016 1.8032 -3.4613 -3.0934 0.1444 2.4200 5.0021 7.8243 10.8366 14.0004 15.9587 17.2857 18.6284 19.9853 21.3554 22.7375 24.1306 25.5339 26.9464 28.3675 29.7963 31.2322 32.6746 34.1229 35.5766 37.0351 39.9651 42.9094 45.8651
3.2000 -29124.643580 19.4391 -65.7345 -15.5513 -13.6074 -11.6635 -9.7196 -7.7757 -5.8317 -3.8878 -1.9439 0.0000 1.9439 3.8878 0.7219 1.8702 5.2613 7.4711 9.9198 12.5548 15.3362 18.2334 20.0172 21.2227 22.4398 23.6676 24.9052 26.1516 27.4062 28.6681 29.9368 31.2116 32.4920 33.7775 35.0675 36.3616 37.6595 38.9607 41.5716 44.1920 46.8195
3.6000 -29147.657305 17.9914 -131.8420 -14.3931 -12.5940 -10.7948 -8.9957 -7.1965 -5.3974 -3.5983 -1.7991 0.0000 1.7991 3.5983 -4.5354 -6.0421 -3.8859 -1.9241 0.4650 3.1963 6.2039 9.4361 11.4657 12.8517 14.2617 15.6939 17.1465 18.6181 20.1072 21.6125 23.1328 24.6668 26.2137 27.7722 29.3417 30.9211 32.5097 34.1068 37.3236 40.5663 43.8307
4.0000 -29164.360968 26.9156 -91.9197 -21.5325 -18.8409 -16.1494 -13.4578 -10.7662 -8.0747 -5.3831 -2.6916 0.0000 2.6916 5.3831 0.3100 0.5659 3.7013 5.9513 8.5268 11.3606 14.4010 17.6079 19.5984 20.9495 22.3180 23.7026 25.1019 26.5149 27.9403 29.3773 30.8248 32.2821 33.7483 35.2227 36.7046 38.1933 39.6883 41.1890 44.2056 47.2392 50.2866
4.4000 -29169.602969 39.3069 -84.9103 -31.4455 -27.5148 -23.5841 -19.6534 -15.7228 -11.7921 -7.8614 -3.9307 0.0000 3.9307 7.8614 3.2669 3.8077 7.2060 9.5985 12.3277 15.3273 18.5457 21.9423 24.0521 25.4848 26.9365 28.4059 29.8916 31.3923 32.9070 34.4345 35.9738 37.5241 39.0845 40.6541 42.2323 43.8184 45.4117 47.0115 50.2288 53.4661 56.7197
4.8000 -29168.957704 12.3175 -105.9140 -9.8540 -8.6222 -7.3905 -6.1587 -4.9270 -3.6952 -2.4635 -1.2317 0.0000 1.2317 2.4635 -3.3986 -3.3628 -0.2620 2.0032 4.6074 7.4800 10.5674 13.8279 15.8534 17.2288 18.6224 20.0328 21.4586 22.8986 24.3518 25.8171 27.2935 28.7801 30.2761 31.7808 33.2933 34.8132 36.3397 37.8723 40.9535 44.0529 47.1672
5.2000 -29173.168796 16.5227 -97.3438 -13.2181 -11.5659 -9.9136 -8.2613 -6.6091 -4.9568 -3.3045 -1.6523 0.0000 1.6523 3.3045 -2.1890 -2.0957 1.1002 3.4488 6.1606 9.1635 12.4014 15.8303 17.9643 19.4149 20.8859 22.3756 23.8827 25.4058 26.9436 28.4951 30.0592 31.6348 33.2211 34.8172 36.4224 38.0358 39.6568 41.2848 44.5592 47.8546 51.1673
5.6000 -29173.686883 33.6882 -77.1664 -26.9505 -23.5817 -20.2129 -16.8441 -13.4753 -10.1065 -6.7376 -3.3688 0.0000 3.3688 6.7376 3.0240 4.2951 8.1180 10.6122 13.3775 16.3544 19.4981 22.7742 24.7920 26.1558 27.5331 28.9227 30.3236 31.7347 33.1552 34.5843 36.0213 37.4653 38.9159 40.3723 41.8341 43.3007 44.7717 46.2466 49.2066 52.1777 55.1573
6.0000 -29172.916977 33.9584 -78.6099 -27.1667 -23.7709 -20.3751 -16.9792 -13.5834 -10.1875 -6.7917 -3.3958 0.0000 3.3958 6.7917 2.5833 3.2164 6.5579 8.8861 11.5331 14.4355 17.5441 20.8201 22.8530 24.2326 25.6301 27.0439 28.4729 29.9158 31.3716 32.8393 34.3179 35.8065 37.3044 38.8108 40.3250 41.8464 43.3743 44.9082 47.9917 51.0932 54.2093
6.4000 -29155.429707 31.5578 -68.3242 -25.2463 -22.0905 -18.9347 -15.7789 -12.6231 -9.4674 -6.3116 -3.1558 0.0000 3.1558 6.3116 3.1665 4.7388 8.8048 11.4164 14.2991 17.3941 20.6565 24.0519 26.1413 27.5530 28.9782 30.4156 31.8643 33.3233 34.7915 36.2683 37.7529 39.2445 40.7426 42.2464 43.7554 45.2692 46.7873 48.3091 51.3626 54.4266 57.4986
6.8000 -29131.724781 25.6086 -51.0949 -20.4869 -17.9260 -15.3652 -12.8043 -10.2435 -7.6826 -5.1217 -2.5609 0.0000 2.5609 5.1217 3.3993 6.0369 11.0111 14.0484 17.3466 20.8511 24.5198 28.3199 30.6522 32.2257 33.8128 35.4124 37.0232 38.6445 40.2754 41.9149 43.5623 45.2170 46.8782 48.5455 50.2181 51.8956 53.5775 55.2633 58.6450 62.0376 65.4384
7.2000 -29110.437060 29.2781 -116.1700 -23.4225 -20.4947 -17.5669 -14.6390 -11.7112 -8.7834 -5.8556 -2.9278 0.0000 2.9278 5.8556 -1.0964 -1.9640 0.5278 2.5890 5.0472 7.8255 10.8638 14.1150 16.1518 17.5413 18.9538 20.3877 21.8414 23.3135 24.8027 26.3076 27.8272 29.3603 30.9061 32.4634 34.0315 35.6096 37.1969 38.7926 42.0069 45.2476 48.5105
7.6000 -29067.448521 18.2173 -47.9122 -14.5738 -12.7521 -10.9304 -9.1086 -7.2869 -5.4652 -3.6435 -1.8217 0.0000 1.8217 3.6435 1.8007 3.8065 7.9084 10.4569 13.2426 16.2163 19.3399 22.5840 24.5783 25.9251 27.2844 28.6551 30.0364 31.4273 32.8271 34.2350 35.6503 37.0723 38.5006 39.9345 41.3736 42.8173 44.2652 45.7169 48.6302 51.5545 54.4872
8.0000 -29033.912673 23.9255 -72.3334 -19.1404 -16.7478 -14.3553 -11.9627 -9.5702 -7.1776 -4.7851 -2.3925 0.0000 2.3925 4.7851 1.2753 2.6272 6.6358 9.2736 12.2144 15.3959 18.7699 22.2989 24.4780 25.9530 27.4442 28.9502 30.4698 32.0019 33.5456 35.0997 36.6635 38.2362 39.8169 41.4050 42.9998 44.6007 46.2071 47.8186 51.0545 54.3050 57.5669
8.4000 -28985.350119 59.6542 -110.5930 -47.7234 -41.7579 -35.7925 -29.8271 -23.8617 -17.8963 -11.9308 -5.9654 0.0000 5.9654 11.9308 5.3546 4.5898 6.9928 8.9533 11.2794 13.8978 16.7519 19.7973 21.7014 22.9988 24.3166 25.6532 27.0072 28.3774 29.7624 31.1611 32.5725 33.9956 35.4295 36.8734 38.3265 39.7880 41.2573 42.7338 45.7059 48.6999 51.7121
8.8000 -28928.063568 32.8867 -120.7060 -26.3094 -23.0207 -19.7320 -16.4434 -13.1547 -9.8660 -6.5773 -3.2887 0.0000 3.2887 6.5773 -0.6196 -1.5417 0.9375 2.9915 5.4383 8.1994 11.2143 14.4357 16.4517 17.8259 19.2223 20.6391 22.0748 23.5280 24.9974 26.4817 27.9798 29.4907 31.0134 32.5471 34.0907 35.6437 37.2052 38.7745 41.9342 45.1181 48.3222
9.2000 -28873.849849 36.9420 -88.6228 -29.5536 -25.8594 -22.1652 -18.4710 -14.7768 -11.0826 -7.3884 -3.6942 0.0000 3.6942 7.3884 2.7809 3.6515 7.4664 10.0693 13.0033 16.1994 19.6048 23.1783 25.3892 26.8873 28.4029 29.9346 31.4809 33.0409 34.6132 36.1970 37.7912 39.3950 41.0075 42.6281 44.2559 45.8904 47.5308 49.1768 52.4830 55.8052 59.1399
9.6000 -28840.135797 34.1327 -68.2446 -27.3062 -23.8929 -20.4796 -17.0663 -13.6531 -10.2398 -6.8265 -3.4133 0.0000 3.4133 6.8265 3.5901 5.2203 9.6638 12.5845 15.8494 19.3928 23.1632 27.1192 29.5679 31.2277 32.9075 34.6058 36.3211 38.0523 39.7980 41.5572 43.3289 45.1119 46.9055 48.7088 50.5210 52.3414 54.1693 56.0039 59.6913 63.3991 67.1234
10.0000 -28819.654493 9.4398 -138.0240 -7.5519 -6.6079 -5.6639 -4.7199 -3.7759 -2.8319 -1.8880 -0.9440 0.0000 0.9440 1.8880 -6.4873 -7.8883 -5.5160 -3.4272 -0.9034 1.9684 5.1209 8.5017 10.6220 12.0690 13.5403 15.0342 16.5490 18.0830 19.6348 21.2031 22.7866 24.3842 25.9947 27.6172 29.2508 30.8945 32.5476 34.2094 37.5558 40.9288 44.3238
10.4000 -28802.204015 36.5578 -70.8823 -29.2462 -25.5905 -21.9347 -18.2789 -14.6231 -10.9673 -7.3116 -3.6558 0.0000 3.6558 7.3116 3.9620 5.5155 9.7647 12.5347 15.6141 18.9395 22.4621 26.1434 28.4155 29.9530 31.5072 33.0765 34.6598 36.2560 37.8639 39.4827 41.1114 42.7491 44.3951 46.0487 47.7091 49.3759 51.0483 52.7258 56.0943 59.4777 62.8726
10.8000 -28809.052380 29.6166 -51.6349 -23.6933 -20.7316 -17.7699 -14.8083 -11.8466 -8.8850 -5.9233 -2.9617 0.0000 2.9617 5.9233 4.1501 6.6937 11.5122 14.4501 17.6362 21.0171 24.5519 28.2091 30.4517 31.9640 33.4887 35.0247 36.5711 38.1270 39.6915 41.2638 42.8432 44.4291 46.0208 47.6178 49.2196 50.8257 52.4356 54.0488 57.2840 60.5284 63.7794
11.2000 -28835.440451 28.7662 -79.8135 -23.0130 -20.1364 -17.2597 -14.3831 -11.5065 -8.6299 -5.7532 -2.8766 0.0000 2.8766 5.7532 1.6759 2.7057 6.5622 9.1762 12.1234 15.3385 18.7708 22.3799 24.6167 26.1339 27.6701 29.2237 30.7936 32.3784 33.9771 35.5885 37.2116 38.8456 40.4897 42.1429 43.8046 45.4740 47.1506 48.8336 52.2170 55.6201 59.0390
11.6000 -28866.358024 29.4610 -60.4173 -23.5688 -20.6227 -17.6766 -14.7305 -11.7844 -8.8383 -5.8922 -2.9461 0.0000 2.9461 5.8922 3.3560 5.3294 9.7236 12.4927 15.5344 18.7921 22.2226 25.7920 27.9890 29.4736 30.9727 32.4851 34.0098 35.5457 37.0919 38.6475 40.2118 41.7840 43.3635 44.9496 46.5417 48.1393 49.7419 51.3489 54.5747 57.8135 61.0623
12.0000 -28912.339178 18.8761 -74.2230 -15.1009 -13.2133 -11.3257 -9.4380 -7.5504 -5.6628 -3.7752 -1.8876 0.0000 1.8876 3.7752 -0.1698 0.5515 3.9360 6.2856 8.9582 11.8920 15.0386 18.3596 20.4229 21.8242 23.2444 24.6821 26.1361 27.6050 29.0879 30.5836 32.0912 33.6098 35.1386 36.6767 38.2236 39.7784 41.3406 42.9095 46.0653 49.2419 52.4355
12.4000 -28961.848196 11.4095 -60.5977 -9.1276 -7.9867 -6.8457 -5.7048 -4.5638 -3.4229 -2.2819 -1.1410 0.0000 1.1410 2.2819 -0.4184 1.2629 5.3203 7.9094 10.7637 13.8269 17.0557 20.4166 22.4852 23.8830 25.2942 26.7178 28.1527 29.5978 31.0523 32.5154 33.9864 35.4644 36.9489 38.4392 39.9349 41.4353 42.9400 44.4485 47.4755 50.5132 53.5589
12.8000 -29002.446642 18.8808 -62.0689 -15.1047 -13.2166 -11.3285 -9.4404 -7.5523 -5.6643 -3.7762 -1.8881 0.0000 1.8881 3.7762 1.2561 3.3416 7.7849 10.5425 13.5481 16.7463 20.0951 23.5627 25.6896 27.1241 28.5704 30.0274 31.4943 32.9700 34.4539 35.9450 37.4428 38.9466 40.4558 41.9699 43.4884 45.0107 46.5365 48.0653 51.1307 54.2041 57.2833
13.2000 -29053.065367 15.1622 -60.9238 -12.1298 -10.6135 -9.0973 -7.5811 -6.0649 -4.5487 -3.0324 -1.5162 0.0000 1.5162 3.0324 0.2575 1.8999 6.0238 8.6888 11.6461 14.8375 18.2176 21.7507 23.9319 25.4083 26.9008 28.4082 29.9294 31.4632 33.0086 34.5647 36.1306 37.7055 39.2888 40.8796 42.4773 44.0814 45.6912 47.3062 50.5501 53.8093 57.0807
13.6000 -29094.898248 42.1392 -71.4847 -33.7114 -29.4975 -25.2835 -21.0696 -16.8557 -12.6418 -8.4278 -4.2139 0.0000 4.2139 8.4278 4.7291 5.5523 8.8650 11.1190 13.6604 16.4309 19.3855 22.4889 24.4105 25.7131 27.0314 28.3641 29.7101 31.0683 32.4378 33.8177 35.2071 36.6053 38.0115 39.4251 40.8454 42.2719 43.7040 45.1413 48.0294 50.9328 53.8485
14.0000 -29138.598612 30.7454 -77.6248 -24.5963 -21.5218 -18.4472 -15.3727 -12.2982 -9.2236 -6.1491 -3.0745 0.0000 3.0745 6.1491 2.0932 2.8676 6.2737 8.6030 11.2316 14.0979 17.1543 20.3638 22.3505 23.6970 25.0596 26.4368 27.8276 29.2309 30.6455 32.0707 33.5055 34.9491 36.4009 37.8600 39.3260 40.7981 42.2758 43.7587 46.7379 49.7321 52.7384
14.4000 -29164.055441 12.4168 -118.1960 -9.9334 -8.6918 -7.4501 -6.2084 -4.9667 -3.7250 -2.4834 -1.2417 0.0000 1.2417 2.4834 -4.5756 -5.5647 -3.3367 -1.4693 0.7549 3.2610 5.9917 8.9031 10.7218 11.9602 13.2175 14.4921 15.7827 17.0880 18.4068 19.7380 21.0807 22.4339 23.7968 25.1685 26.5484 27.9358 29.3300 30.7305 33.5480 36.3844 39.2363
14.8000 -29185.045902 9.1677 -61.2508 -7.3342 -6.4174 -5.5006 -4.5838 -3.6671 -2.7503 -1.8335 -0.9168 0.0000 0.9168 1.8335 -0.8453 0.8668 4.8903 7.4380 10.2371 13.2333 16.3853 19.6613 21.6756 23.0361 24.4091 25.7937 27.1889 28.5936 30.0072 31.4288 32.8577 34.2933 35.7349 37.1820 38.6341 40.0906 41.5512 43.0154 45.9531 48.9009 51.8563
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