# 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 = 0.2"
@ 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 (0.2, 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 -28935.719788 79.8439 -169.8430 -15.9688 0.0000 23.9532 63.8751 49.9363 58.5905 68.3709 75.7456 83.5569 87.5810 95.7991
1.0000 -28999.753933 64.3186 -73.0815 -12.8637 0.0000 19.2956 51.4549 53.3537 65.5084 76.4588 84.2114 92.1829 96.2248 104.3823
2.0000 -29076.020596 38.3567 -83.7201 -7.6713 0.0000 11.5070 30.6854 31.2665 42.9463 53.4941 60.9524 68.6119 72.4922 80.3175
3.0000 -29122.694521 73.6638 -213.0380 -14.7328 0.0000 22.0991 58.9310 37.9093 44.5635 53.3517 60.2031 67.5660 71.3874 79.2340
4.0000 -29133.722682 38.2535 -70.6495 -7.6507 0.0000 11.4761 30.6028 33.1460 44.8000 54.9792 62.0876 69.3389 72.9983 80.3560
5.0000 -29147.649111 43.7478 -109.7610 -8.7496 0.0000 13.1244 34.9983 31.7663 42.3483 52.3083 59.4432 66.8190 70.5696 78.1552
6.0000 -29161.004598 79.9055 -82.7909 -15.9811 0.0000 23.9717 63.9244 63.4694 74.4451 84.5821 91.8078 99.2597 103.0439 110.6894
7.0000 -29144.287730 59.0886 -97.2498 -11.8177 0.0000 17.7266 47.2709 44.9077 56.2656 67.1414 74.9984 83.1601 87.3218 95.7572
8.0000 -29109.173478 27.1675 -62.3135 -5.4335 0.0000 8.1502 21.7340 25.5321 37.9756 48.8486 56.4545 64.2230 68.1465 76.0401
9.0000 -29064.050011 57.4257 -91.3534 -11.4851 0.0000 17.2277 45.9406 42.6411 51.8517 60.7589 67.2003 73.8914 77.3029 84.2167
10.0000 -29022.825794 77.1663 -71.3160 -15.4333 0.0000 23.1499 61.7330 62.8655 73.7444 83.5707 90.5290 97.6840 101.3118 108.6336
11.0000 -28984.669713 68.7351 -79.7233 -13.7470 0.0000 20.6205 54.9881 56.5570 69.2519 80.7596 88.9275 97.3384 101.6068 110.2274
12.0000 -28939.123371 44.9335 -67.3536 -8.9867 0.0000 13.4800 35.9468 39.3202 51.9367 63.0273 70.8036 78.7567 82.7764 90.8690
13.0000 -28888.686427 43.4483 -104.1510 -8.6897 0.0000 13.0345 34.7586 31.7159 43.3511 54.5873 62.7270 71.1940 75.5147 84.2776
14.0000 -28858.232480 51.1024 -93.6907 -10.2205 0.0000 15.3307 40.8819 39.4166 50.8079 61.5132 69.2000 77.1616 81.2150 89.4220
15.0000 -28885.146003 37.2068 -52.0096 -7.4414 0.0000 11.1621 29.7655 34.6801 47.5580 58.8346 66.7410 74.8289 78.9175 87.1499
16.0000 -28940.463037 39.9548 -61.7036 -7.9910 0.0000 11.9864 31.9638 33.0122 43.3288 52.8180 59.5886 66.5794 70.1325 77.3173
17.0000 -29035.698185 42.9715 -90.8905 -8.5943 0.0000 12.8914 34.3772 33.3876 44.8353 55.4794 63.0851 70.9392 74.9304 82.9988
18.0000 -29133.340559 80.6800 -151.7580 -16.1360 0.0000 24.2040 64.5440 56.1306 65.8929 75.5853 82.6254 89.9486 93.6842 101.2567
19.0000 -29213.445192 41.5789 -63.3414 -8.3158 0.0000 12.4737 33.2631 36.9523 49.8164 61.1947 69.1979 77.3981 81.5472 89.9073
20.0000 -29237.119482 80.3035 -155.1860 -16.0607 0.0000 24.0911 64.2428 53.7525 63.3802 73.5485 81.0918 89.0254 93.0979 101.3938
21.0000 -29208.914146 67.3739 -73.6636 -13.4748 0.0000 20.2122 53.8991 55.3809 67.5733 78.6939 86.6026 94.7531 98.8909 107.2499
22.0000 -29161.314585 68.3630 -89.9839 -13.6726 0.0000 20.5089 54.6904 52.2291 62.5567 72.4719 79.6342 87.0717 90.8631 98.5464
23.0000 -29098.190041 88.5531 -83.5695 -17.7106 0.0000 26.5659 70.8425 68.0446 77.3640 86.4866 93.1288 100.0580 103.6001 110.7948
24.0000 -29067.319610 44.5196 -60.7505 -8.9039 0.0000 13.3559 35.6157 39.4157 52.0326 63.1695 70.9987 79.0191 83.0772 91.2538
25.0000 -29026.540275 78.4814 -119.2350 -15.6963 0.0000 23.5444 62.7851 55.4977 64.7034 74.2161 81.2337 88.5945 92.3673 100.0441
26.0000 -28987.268533 39.4658 -91.6773 -7.8932 0.0000 11.8397 31.5726 31.3403 42.6652 52.9134 60.1630 67.6101 71.3835 78.9950
27.0000 -28976.774171 56.0666 -138.6250 -11.2133 0.0000 16.8200 44.8533 33.1364 40.1925 48.3294 54.5109 61.0863 64.4825 71.4332
28.0000 -28992.441294 54.2687 -130.5530 -10.8537 0.0000 16.2806 43.4150 36.4628 46.1714 55.8352 62.8711 70.2005 73.9426 81.5342
29.0000 -29018.858840 59.5464 -121.3590 -11.9093 0.0000 17.8639 47.6372 39.9510 48.9829 58.4093 65.3880 72.7225 76.4863 84.1521
30.0000 -29022.560440 71.9929 -98.0767 -14.3986 0.0000 21.5979 57.5943 54.6073 65.1673 75.3047 82.6228 90.2186 94.0896 101.9318
31.0000 -29019.782968 73.7009 -147.3550 -14.7402 0.0000 22.1103 58.9607 49.5937 59.2774 69.3008 76.6859 84.4246 88.3884 96.4489
32.0000 -29042.070668 59.3251 -88.9498 -11.8650 0.0000 17.7975 47.4601 46.9510 58.0241 68.1251 75.2882 82.6548 86.3895 93.9256
33.0000 -29063.091561 73.9425 -94.6128 -14.7885 0.0000 22.1827 59.1540 57.2231 68.6054 79.4315 87.2364 95.3360 99.4640 107.8281
34.0000 -29072.773527 60.6988 -110.7280 -12.1398 0.0000 18.2096 48.5591 44.3027 54.4638 64.2777 71.3708 78.7372 82.4926 90.1029
35.0000 -29069.489227 59.3828 -72.3313 -11.8766 0.0000 17.8148 47.5062 49.4001 61.1320 71.6191 79.0174 86.6094 90.4542 98.2069
36.0000 -29061.350520 50.4296 -69.9822 -10.0859 0.0000 15.1289 40.3437 42.1213 53.9954 64.7397 72.3563 80.1921 84.1660 92.1877
37.0000 -29047.377150 75.3675 -93.6704 -15.0735 0.0000 22.6102 60.2940 58.9265 70.4816 81.3199 89.0928 97.1365 101.2294 109.5121
38.0000 -29072.661829 76.2648 -133.3500 -15.2530 0.0000 22.8794 61.0118 50.5583 58.9747 68.3191 75.3530 82.8022 86.6401 94.4791
39.0000 -29085.864317 57.6304 -65.2488 -11.5261 0.0000 17.2891 46.1043 48.1640 59.6916 70.0918 77.4604 85.0405 88.8847 96.6449
40.0000 -29104.293132 51.7748 -133.7720 -10.3550 0.0000 15.5324 41.4198 35.1261 45.5253 55.7055 63.0872 70.7644 74.6810 82.6223
41.0000 -29104.710987 32.8205 -90.2559 -6.5641 0.0000 9.8462 26.2564 23.4662 33.0545 42.2521 48.8899 55.7793 59.2904 66.4042
42.0000 -29091.899589 41.4780 -93.1256 -8.2956 0.0000 12.4434 33.1824 32.3023 44.1565 55.1597 63.0187 71.1328 75.2558 83.5900
43.0000 -29046.775693 44.7177 -145.3910 -8.9435 0.0000 13.4153 35.7741 26.2743 35.9860 46.1504 53.6733 61.5770 65.6318 73.8882
44.0000 -28957.995389 78.9487 -111.9440 -15.7897 0.0000 23.6846 63.1590 58.4063 69.0154 79.3812 86.8908 94.6938 98.6717 106.7311
45.0000 -28873.851508 55.6704 -70.1732 -11.1341 0.0000 16.7011 44.5364 47.6025 59.8804 70.6197 78.1313 85.8030 89.6775 97.4726
46.0000 -28851.765064 57.9070 -70.1959 -11.5814 0.0000 17.3721 46.3256 49.1846 61.7123 72.8275 80.6521 88.6730 92.7326 100.9145
47.0000 -28895.040911 29.3938 -40.7754 -5.8788 0.0000 8.8181 23.5151 29.5215 41.5365 51.7602 58.8483 66.0557 69.6868 76.9789
48.0000 -28981.467346 57.2207 -79.2832 -11.4441 0.0000 17.1662 45.7766 47.0931 58.5624 68.7488 75.9056 83.2300 86.9331 94.3890
49.0000 -29103.422643 80.5845 -111.4780 -16.1169 0.0000 24.1754 64.4676 58.9106 68.7613 78.6193 85.8249 93.3490 97.1960 105.0089
50.0000 -29224.841898 59.1345 -123.7530 -11.8269 0.0000 17.7404 47.3076 40.3273 50.5149 60.9622 68.6683 76.7565 80.9045 89.3499
51.0000 -29278.518113 77.1264 -124.4670 -15.4253 0.0000 23.1379 61.7011 56.6068 68.0840 79.2976 87.4384 95.9126 100.2383 109.0127
52.0000 -29240.494010 59.9878 -68.6179 -11.9976 0.0000 17.9963 47.9902 49.5755 61.2573 71.8928 79.4497 87.2333 91.1834 99.1605
53.0000 -29144.260662 48.7665 -86.4283 -9.7533 0.0000 14.6300 39.0132 36.9876 47.3916 57.3770 64.5995 72.1081 75.9390 83.7077
54.0000 -29051.226992 37.3772 -88.5487 -7.4754 0.0000 11.2132 29.9018 26.9056 36.5563 45.9453 52.7585 59.8508 63.4715 70.8170
55.0000 -28989.222423 56.9149 -54.9401 -11.3830 0.0000 17.0745 45.5319 50.3443 63.1894 74.4238 82.3035 90.3691 94.4487 102.6674
56.0000 -28965.704823 53.2643 -57.0041 -10.6529 0.0000 15.9793 42.6115 45.3285 56.1416 65.7277 72.4734 79.3871 82.8860 89.9376
57.0000 -28955.696313 52.7922 -119.9410 -10.5584 0.0000 15.8377 42.2337 36.4229 46.6842 56.8490 64.2485 71.9578 75.8942 83.8801
58.0000 -28958.074708 62.6321 -79.2264 -12.5264 0.0000 18.7896 50.1057 50.6204 62.1599 72.7325 80.2589 88.0191 91.9596 99.9216
59.0000 -29007.720898 78.2811 -102.3890 -15.6562 0.0000 23.4843 62.6249 58.8583 69.3131 79.4913 86.8743 94.5566 98.4773 106.4292
60.0000 -29088.988420 45.3230 -82.5702 -9.0646 0.0000 13.5969 36.2584 35.1676 45.6825 55.5574 62.6437 69.9796 73.7131 81.2698
61.0000 -29156.582221 42.9475 -78.2515 -8.5895 0.0000 12.8843 34.3580 35.2844 46.3248 56.1719 63.0997 70.1953 73.7845 81.0148
62.0000 -29185.188489 50.8778 -103.7540 -10.1756 0.0000 15.2633 40.7023 37.3888 48.0732 58.3006 65.6728 73.3182 77.2126 85.0993
63.0000 -29229.408752 54.4409 -67.2761 -10.8882 0.0000 16.3323 43.5527 47.0985 59.5314 70.3337 77.8675 85.5484 89.4233 97.2122
64.0000 -29289.868593 46.8389 -90.0241 -9.3678 0.0000 14.0517 37.4711 37.8743 50.6596 62.3778 70.7216 79.3262 83.6962 92.5270
65.0000 -29270.714973 65.8804 -105.4490 -13.1761 0.0000 19.7641 52.7043 50.8089 62.9917 74.4107 82.5948 91.0604 95.3665 104.0778
66.0000 -29223.669490 43.2574 -52.4357 -8.6515 0.0000 12.9772 34.6059 40.2495 53.8113 65.6033 73.8524 82.2820 86.5409 95.1124
67.0000 -29107.813038 30.0053 -115.8550 -6.0011 0.0000 9.0016 24.0042 20.2576 32.0211 43.2430 51.3141 59.6712 63.9235 72.5266
68.0000 -28977.000012 66.3467 -102.6640 -13.2693 0.0000 19.9040 53.0774 50.9183 62.5316 73.5047 81.3971 89.5785 93.7457 102.1861
69.0000 -28881.307517 70.0611 -127.4600 -14.0122 0.0000 21.0183 56.0489 49.4049 59.5019 69.5078 76.7767 84.3372 88.1934 96.0089
70.0000 -28848.667792 70.7963 -86.7830 -14.1593 0.0000 21.2389 56.6371 54.6052 64.7834 74.4743 81.4551 88.6940 92.3813 99.8494
71.0000 -28873.568309 56.7466 -61.2448 -11.3493 0.0000 17.0240 45.3973 48.3026 60.2832 71.0226 78.6195 86.4292 90.3887 98.3797
72.0000 -28936.568482 72.8639 -109.1070 -14.5728 0.0000 21.8592 58.2912 53.4296 63.6679 73.8137 81.2147 88.9381 92.8860 100.9030
73.0000 -29007.268525 60.6355 -73.8879 -12.1271 0.0000 18.1906 48.5084 50.0534 62.3665 73.6180 81.6307 89.8961 94.0948 102.5810
74.0000 -29069.037740 49.1387 -82.6386 -9.8277 0.0000 14.7416 39.3109 38.7855 50.5343 61.6081 69.5724 77.8274 82.0314 90.5440
75.0000 -29168.732302 61.1343 -56.8642 -12.2269 0.0000 18.3403 48.9074 51.8630 63.6931 74.3602 81.9234 89.7076 93.6567 101.6306
76.0000 -29230.468332 44.4959 -65.8861 -8.8992 0.0000 13.3488 35.5967 36.3013 46.9343 56.7624 63.7815 71.0299 74.7138 82.1619
77.0000 -29245.813216 41.0925 -80.4040 -8.2185 0.0000 12.3278 32.8740 32.5824 43.7437 54.0891 61.4733 69.0934 72.9640 80.7855
78.0000 -29184.548739 36.5498 -77.5974 -7.3100 0.0000 10.9649 29.2398 29.4276 40.4340 50.5294 57.7113 65.1112 68.8671 76.4527
79.0000 -29155.307328 46.1144 -75.5872 -9.2229 0.0000 13.8343 36.8915 37.3593 48.7335 59.2188 66.6985 74.4180 78.3399 86.2674
80.0000 -29119.766473 45.9018 -73.1954 -9.1804 0.0000 13.7706 36.7215 38.0244 50.4138 61.8679 70.0642 78.5418 82.8550 91.5834
81.0000 -29057.439675 83.2781 -98.0794 -16.6556 0.0000 24.9834 66.6225 63.6871 74.7988 85.5802 93.4049 101.5527 105.7131 114.1552
82.0000 -28993.073442 59.4581 -94.6095 -11.8916 0.0000 17.8374 47.5665 45.7886 57.4325 68.5307 76.5451 84.8719 89.1188 97.7296
83.0000 -28937.135236 57.0297 -66.6796 -11.4059 0.0000 17.1089 45.6238 47.9997 60.2224 71.2846 79.1390 87.2301 91.3372 99.6342
84.0000 -28879.707876 57.8755 -56.3730 -11.5751 0.0000 17.3626 46.3004 49.3395 60.9727 71.4366 78.8563 86.4962 90.3737 98.2067
85.0000 -28898.472747 37.7486 -72.9452 -7.5497 0.0000 11.3246 30.1989 31.1607 42.6979 53.3083 60.8830 68.7082 72.6870 80.7355
86.0000 -28976.124909 34.3221 -131.3440 -6.8644 0.0000 10.2966 27.4577 22.1718 33.4259 44.2757 52.1078 60.2350 64.3760 72.7638
87.0000 -29066.209344 45.3886 -94.0811 -9.0777 0.0000 13.6166 36.3109 35.9073 48.2595 59.6564 67.7848 76.1726 80.4336 89.0453
88.0000 -29152.828169 36.2837 -77.4610 -7.2567 0.0000 10.8851 29.0270 31.1354 43.7100 54.9023 62.7805 70.8533 74.9379 83.1674
89.0000 -29198.806802 64.7949 -96.1956 -12.9590 0.0000 19.4385 51.8359 48.3343 57.9023 67.1592 73.8562 80.8150 84.3637 91.5572
90.0000 -29214.559846 58.3250 -79.4376 -11.6650 0.0000 17.4975 46.6600 46.3438 57.8243 68.6062 76.3501 84.3709 88.4540 96.7199
91.0000 -29228.120325 57.0316 -106.5790 -11.4063 0.0000 17.1095 45.6253 43.2577 54.5428 65.0297 72.5062 80.2141 84.1269 92.0296
92.0000 -29221.066218 33.8184 -123.0170 -6.7637 0.0000 10.1455 27.0548 21.9179 32.8080 43.3545 50.9717 58.8748 62.9007 71.0527
93.0000 -29144.736501 46.7599 -123.2740 -9.3520 0.0000 14.0280 37.4080 31.3331 42.2189 53.0859 61.0225 69.3067 73.5413 82.1395
94.0000 -29054.260175 52.6738 -91.7488 -10.5348 0.0000 15.8021 42.1390 42.3385 53.9847 64.4467 71.8275 79.3980 83.2304 90.9548
95.0000 -28973.976082 38.1719 -67.0468 -7.6344 0.0000 11.4516 30.5376 32.2025 43.3035 53.2965 60.3643 67.6264 71.3067 78.7315
96.0000 -28932.820467 58.9390 -157.8290 -11.7878 0.0000 17.6817 47.1512 35.1896 44.5207 54.6553 62.2114 70.1690 74.2552 82.5784
97.0000 -28910.670840 47.9157 -108.3180 -9.5831 0.0000 14.3747 38.3326 33.0535 42.2688 51.4576 58.1729 65.1880 68.7764 76.0676
98.0000 -28918.638786 47.1834 -71.7394 -9.4367 0.0000 14.1550 37.7467 38.2967 49.1774 59.1830 66.3143 73.6715 77.4088 84.9624
99.0000 -28964.210683 58.0927 -59.4183 -11.6185 0.0000 17.4278 46.4742 50.2314 62.8348 74.0371 81.9397 90.0526 94.1629 102.4538
100.0000 -29049.553364 40.3438 -82.7960 -8.0688 0.0000 12.1031 32.2750 31.7743 43.3026 54.0957 61.8343 69.8412 73.9148 82.1572
101.0000 -29136.214833 45.0463 -106.9660 -9.0093 0.0000 13.5139 36.0371 32.3467 42.9685 53.1783 60.5484 68.1979 72.0962 79.9941
102.0000 -29226.514636 55.1641 -81.9505 -11.0328 0.0000 16.5492 44.1313 44.6334 56.4231 67.1846 74.8301 82.7029 86.6974 94.7630
103.0000 -29287.916243 70.8072 -61.8111 -14.1614 0.0000 21.2422 56.6457 59.2687 71.1019 81.7505 89.2915 97.0472 100.9801 108.9188
104.0000 -29300.466972 38.0095 -77.5375 -7.6019 0.0000 11.4028 30.4076 31.1873 41.7036 51.0456 57.6066 64.3202 67.7144 74.5494
105.0000 -29253.452549 30.7323 -113.6060 -6.1465 0.0000 9.2197 24.5859 20.3336 31.0838 41.4924 49.0296 56.8673 60.8663 68.9761
106.0000 -29163.149209 55.3196 -113.0260 -11.0639 0.0000 16.5959 44.2557 37.7658 46.5969 55.5815 62.1748 69.0719 72.6016 79.7754
107.0000 -29030.619950 49.6592 -84.4819 -9.9318 0.0000 14.8978 39.7274 39.5841 50.6772 60.8568 68.1062 75.5829 79.3805 87.0554
108.0000 -28906.322339 69.4789 -81.5493 -13.8958 0.0000 20.8437 55.5831 56.5377 68.2402 78.7473 86.1628 93.7712 97.6237 105.3898
109.0000 -28825.318596 97.9798 -167.4910 -19.5960 0.0000 29.3939 78.3838 62.9794 69.8580 78.1779 84.5449 91.3317 94.8394 102.0197
110.0000 -28819.719101 76.8940 -110.7590 -15.3788 0.0000 23.0682 61.5152 56.1821 65.4874 74.6338 81.2666 88.1616 91.6777 98.8038
111.0000 -28838.446722 53.0603 -71.6939 -10.6121 0.0000 15.9181 42.4483 44.0713 55.8507 66.5022 74.0513 81.8174 85.7560 93.7069
112.0000 -28879.099897 71.3070 -123.2370 -14.2614 0.0000 21.3921 57.0456 49.4003 58.8451 68.6881 75.9783 83.6436 87.5783 95.5941
113.0000 -28982.254563 36.1358 -99.6018 -7.2272 0.0000 10.8407 28.9086 25.0853 34.4605 43.4593 49.9363 56.6437 60.0568 66.9628
114.0000 -29126.218324 47.0644 -80.5126 -9.4129 0.0000 14.1193 37.6515 38.7379 50.9322 61.9777 69.8011 77.8432 81.9194 90.1426
115.0000 -29260.270802 48.8783 -48.7441 -9.7757 0.0000 14.6635 39.1027 44.7142 57.6563 68.8602 76.6836 84.6702 88.7030 96.8159
116.0000 -29351.064955 45.3596 -93.7981 -9.0719 0.0000 13.6079 36.2877 35.5633 47.2132 57.9234 65.5463 73.4028 77.3911 85.4475
117.0000 -29376.527712 60.4898 -102.7850 -12.0980 0.0000 18.1469 48.3918 43.7482 53.3584 62.9260 69.9237 77.2394 80.9834 88.5947
118.0000 -29346.285484 57.3401 -149.8830 -11.4680 0.0000 17.2020 45.8721 33.1394 40.8047 49.6723 56.4156 63.5919 67.2992 74.8876
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