X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2FNose-Hoover%2Fff_gab%2F1L2Y_REMD_GB006.stat;fp=examples%2Funres%2Fnew%2FREMD%2FNose-Hoover%2Fff_gab%2F1L2Y_REMD_GB006.stat;h=0000000000000000000000000000000000000000;hp=a4170287fafde84ad07af43968c99a3837e8852d;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat b/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat deleted file mode 100644 index a417028..0000000 --- a/examples/unres/new/REMD/Nose-Hoover/ff_gab/1L2Y_REMD_GB006.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 36.915 24.771 61.686 0.000000 12.87 0.000 NaN NaN 0.707 334.911 310.000 15.552 6 - 10000 1000.00 35.536 -18.616 16.921 19.979374 9.42 0.000 1.000 0.250 0.513 322.404 310.000 13.420 6 - 20000 2000.00 33.819 -15.682 18.138 54.985256 6.18 0.071 0.750 0.261 0.796 306.826 310.000 8.955 6 - 30000 3000.00 32.521 -17.881 14.640 70.234607 3.91 0.214 0.571 0.305 0.543 295.048 310.000 8.290 6 - 40000 4000.00 30.205 -15.986 14.219 83.867657 7.43 0.071 0.750 0.205 0.650 274.035 310.000 10.025 6 - 50000 5000.00 32.521 -37.832 -5.311 105.556300 3.63 0.286 0.333 0.303 0.850 295.045 310.000 7.726 6 - 60000 6000.00 26.175 -23.026 3.149 139.237681 3.81 0.214 0.571 0.182 0.455 237.473 310.000 7.655 6 - 70000 7000.00 35.401 -29.857 5.544 141.713355 4.76 0.214 0.700 0.450 0.415 321.179 310.000 7.343 6 - 80000 8000.00 28.678 -38.061 -9.383 162.080496 3.62 0.500 0.417 0.254 0.454 260.182 310.000 7.455 6 - 90000 9000.00 31.789 -27.033 4.756 180.007049 3.65 0.143 0.600 0.291 0.890 288.407 310.000 8.308 6 - 100000 10000.00 32.439 -27.606 4.833 203.934589 2.64 0.429 0.333 0.308 0.963 294.301 310.000 7.601 6 - 110000 11000.00 42.992 -28.517 14.474 233.785934 4.21 0.357 0.545 0.331 1.221 390.045 330.000 7.922 6 - 120000 12000.00 41.447 -34.129 7.318 277.292304 3.85 0.357 0.444 0.328 0.627 376.031 330.000 7.761 6 - 130000 13000.00 37.965 -11.556 26.408 293.848653 4.13 0.214 0.571 0.279 0.808 344.435 330.000 7.575 6 - 140000 14000.00 42.589 -31.335 11.254 313.692678 4.63 0.143 0.778 0.384 0.806 386.389 330.000 7.713 6 - 150000 15000.00 37.511 -19.954 17.558 339.117572 4.34 0.071 0.857 0.338 1.469 340.324 330.000 6.761 6 - 160000 16000.00 34.798 -23.029 11.769 353.532296 4.67 0.214 0.571 0.273 0.516 315.708 330.000 7.082 6 - 170000 17000.00 39.100 -19.893 19.207 361.738598 5.06 0.143 0.667 0.364 0.948 354.732 330.000 7.165 6 - 180000 18000.00 37.309 -16.425 20.884 384.208795 5.00 0.143 0.667 0.439 1.169 338.488 330.000 7.432 6 - 190000 19000.00 33.700 -10.353 23.347 398.936679 9.20 0.286 0.333 0.144 0.493 305.742 330.000 12.438 6 - 200000 20000.00 31.043 -28.987 2.056 433.698491 5.27 0.143 0.500 0.170 0.595 281.640 330.000 9.484 6 - 210000 21000.00 19.448 -38.204 -18.756 438.912310 4.08 0.214 0.667 0.404 0.542 176.444 320.000 8.358 6 - 220000 22000.00 37.764 -27.259 10.505 452.431877 4.70 0.071 0.667 0.152 0.574 342.618 320.000 8.047 6 - 230000 23000.00 34.322 -26.172 8.149 465.857879 4.71 0.357 0.545 0.335 0.698 311.384 320.000 7.134 6 - 240000 24000.00 29.556 -24.933 4.624 477.133941 3.59 0.214 0.667 0.253 0.551 268.150 320.000 7.498 6 - 250000 25000.00 34.437 -26.371 8.066 520.075032 5.24 0.214 0.769 0.297 1.067 312.430 320.000 6.813 6 - 260000 26000.00 29.613 -31.400 -1.787 531.802518 6.19 0.214 0.571 0.273 1.379 268.669 320.000 6.935 6 - 270000 27000.00 32.575 -32.644 -0.069 560.540514 7.21 0.286 0.556 0.323 0.617 295.536 320.000 6.986 6 - 280000 28000.00 41.406 -33.823 7.582 588.949386 5.14 0.214 0.750 0.311 0.404 375.652 320.000 7.090 6 - 290000 29000.00 28.044 -30.734 -2.690 605.443352 5.04 0.286 0.600 0.355 0.445 254.433 320.000 7.110 6 - 300000 30000.00 41.279 -30.681 10.598 626.785208 5.92 0.143 0.667 0.167 0.627 374.502 320.000 7.889 6 - 310000 31000.00 36.479 -38.441 -1.962 645.914698 6.93 0.214 0.625 0.233 0.623 330.960 310.000 6.885 6 - 320000 32000.00 37.629 -40.964 -3.335 669.944301 7.37 0.286 0.556 0.187 0.844 341.388 310.000 7.548 6 - 330000 33000.00 49.951 -35.202 14.749 694.339989 6.22 0.286 0.667 0.227 0.948 453.186 310.000 7.767 6 - 340000 34000.00 36.878 -28.833 8.045 702.244883 3.81 0.143 0.600 0.173 0.908 334.576 310.000 8.220 6 - 350000 35000.00 35.952 -29.928 6.024 715.828326 6.50 0.214 0.571 0.175 1.339 326.179 310.000 9.163 6 - 360000 36000.00 34.564 -28.999 5.565 731.743381 5.46 0.143 0.600 0.255 0.640 313.582 310.000 7.858 6 - 370000 37000.00 37.123 -40.031 -2.908 743.491348 3.28 0.286 0.750 0.412 0.807 336.796 310.000 6.394 6 - 380000 38000.00 41.792 -25.835 15.956 755.024366 2.98 0.500 0.533 0.403 0.752 379.156 310.000 6.798 6 - 390000 39000.00 39.461 -28.411 11.050 806.911865 3.94 0.214 0.667 0.298 0.682 358.007 310.000 7.411 6 - 400000 40000.00 29.957 -31.139 -1.182 833.183023 3.83 0.214 0.625 0.227 0.827 271.783 310.000 7.603 6 - 410000 41000.00 28.144 -38.355 -10.211 810.929314 3.91 0.214 0.727 0.281 0.517 255.336 300.000 6.948 6 - 420000 42000.00 34.136 -39.754 -5.618 821.195353 3.94 0.214 0.700 0.245 0.755 309.698 300.000 7.009 6 - 430000 43000.00 29.450 -26.110 3.339 833.339248 2.89 0.286 0.636 0.219 1.199 267.184 300.000 6.997 6 - 440000 44000.00 30.424 -32.048 -1.624 851.232308 2.84 0.357 0.615 0.199 0.735 276.021 300.000 7.069 6 - 450000 45000.00 31.659 -40.218 -8.559 852.781730 3.77 0.357 0.444 0.217 0.694 287.230 300.000 7.116 6 - 460000 46000.00 40.742 -25.428 15.314 875.252261 3.68 0.143 0.750 0.227 0.563 369.631 300.000 7.555 6 - 470000 47000.00 28.416 -38.398 -9.982 894.036922 3.42 0.214 0.667 0.268 0.576 257.804 300.000 6.894 6 - 480000 48000.00 28.004 -35.343 -7.339 910.340332 4.49 0.286 0.667 0.386 0.834 254.071 300.000 6.404 6 - 490000 49000.00 37.836 -49.146 -11.310 914.780876 3.52 0.643 0.471 0.350 0.836 343.264 300.000 6.590 6 - 500000 50000.00 31.417 -43.979 -12.562 920.632395 4.01 0.357 0.706 0.433 0.713 285.029 300.000 6.315 6 - 510000 51000.00 29.446 -39.384 -9.938 890.730257 4.30 0.214 0.667 0.263 0.315 267.150 290.000 6.843 6 - 520000 52000.00 29.943 -47.820 -17.877 908.742488 3.50 0.357 0.444 0.343 0.905 271.658 290.000 6.489 6 - 530000 53000.00 33.548 -42.876 -9.328 933.799253 3.59 0.357 0.583 0.364 0.432 304.369 290.000 6.494 6 - 540000 54000.00 31.874 -43.747 -11.872 948.067573 4.12 0.357 0.500 0.436 0.532 289.181 290.000 6.641 6 - 550000 55000.00 43.608 -43.728 -0.120 985.838036 3.55 0.500 0.588 0.302 1.450 395.633 290.000 6.423 6 - 560000 56000.00 33.184 -40.853 -7.669 1012.852631 3.61 0.429 0.538 0.357 0.527 301.064 290.000 6.474 6 - 570000 57000.00 36.093 -43.452 -7.359 1024.980387 5.21 0.286 0.692 0.290 0.852 327.455 290.000 6.917 6 - 580000 58000.00 33.508 -41.124 -7.617 1046.521738 4.90 0.286 0.667 0.235 0.908 304.001 290.000 6.861 6 - 590000 59000.00 31.299 -42.091 -10.793 1048.761954 3.24 0.357 0.545 0.360 0.695 283.959 290.000 7.103 6 - 600000 60000.00 29.843 -35.237 -5.394 1087.115308 2.60 0.357 0.545 0.364 0.715 270.750 290.000 6.655 6 - 610000 61000.00 24.154 -52.512 -28.357 1051.726464 3.35 0.429 0.600 0.288 0.745 219.141 280.000 6.732 6 - 620000 62000.00 29.346 -47.981 -18.635 1081.375638 2.46 0.500 0.611 0.306 0.765 266.241 280.000 6.626 6 - 630000 63000.00 36.145 -48.123 -11.978 1092.878375 2.63 0.500 0.611 0.321 1.077 327.922 280.000 6.579 6 - 640000 64000.00 25.073 -41.512 -16.439 1105.606303 3.76 0.357 0.667 0.309 0.782 227.477 280.000 6.816 6 - 650000 65000.00 32.118 -52.524 -20.406 1112.625013 2.48 0.571 0.529 0.291 0.402 291.394 280.000 6.514 6 - 660000 66000.00 22.595 -42.255 -19.660 1139.318717 2.80 0.429 0.500 0.265 0.552 204.994 280.000 6.783 6 - 670000 67000.00 28.587 -41.322 -12.734 1152.315791 3.94 0.357 0.643 0.244 0.985 259.358 280.000 6.794 6 - 680000 68000.00 33.630 -47.895 -14.265 1159.665959 2.64 0.429 0.600 0.315 0.582 305.111 280.000 6.634 6 - 690000 69000.00 33.617 -53.978 -20.362 1164.185093 2.08 0.500 0.500 0.377 0.808 304.990 280.000 6.685 6 - 700000 70000.00 25.081 -44.825 -19.744 1169.840783 2.87 0.500 0.500 0.224 0.560 227.547 280.000 6.787 6 - 710000 71000.00 28.407 -44.664 -16.258 1197.397133 3.43 0.429 0.647 0.422 0.946 257.722 280.000 6.179 6 - 720000 72000.00 36.846 -47.287 -10.441 1199.882050 3.50 0.214 0.727 0.339 0.680 334.290 280.000 6.688 6 - 730000 73000.00 26.367 -50.226 -23.859 1203.886986 3.89 0.357 0.583 0.261 0.584 239.217 280.000 7.236 6 - 740000 74000.00 31.421 -41.398 -9.978 1214.364240 4.26 0.214 0.727 0.248 0.706 285.065 280.000 6.924 6 - 750000 75000.00 26.250 -49.071 -22.821 1226.379433 4.37 0.500 0.667 0.437 0.346 238.154 280.000 6.397 6 - 760000 76000.00 33.817 -41.911 -8.094 1245.028783 3.79 0.357 0.688 0.423 0.478 306.802 280.000 6.377 6 - 770000 77000.00 31.748 -50.168 -18.420 1268.205408 3.84 0.429 0.625 0.290 0.991 288.036 280.000 6.928 6 - 780000 78000.00 23.837 -47.585 -23.747 1281.516691 3.75 0.500 0.500 0.370 0.718 216.265 280.000 6.395 6 - 790000 79000.00 31.186 -58.452 -27.266 1289.791767 4.26 0.357 0.688 0.443 0.543 282.935 280.000 6.317 6 - 800000 80000.00 29.944 -46.534 -16.590 1293.729944 3.84 0.286 0.714 0.373 0.566 271.668 280.000 6.374 6 - 810000 81000.00 43.363 -54.738 -11.375 1243.913597 4.07 0.143 0.857 0.315 0.644 393.413 270.000 6.499 6 - 820000 82000.00 29.613 -62.042 -32.429 1256.232218 2.75 0.429 0.700 0.302 0.783 268.663 270.000 6.478 6 - 830000 83000.00 28.223 -52.212 -23.989 1263.661194 3.28 0.429 0.684 0.328 0.418 256.049 270.000 6.286 6 - 840000 84000.00 33.140 -50.584 -17.445 1278.648393 2.80 0.429 0.571 0.328 0.945 300.659 270.000 7.089 6 - 850000 85000.00 34.393 -53.356 -18.963 1292.666527 3.67 0.286 0.765 0.313 0.685 312.028 270.000 6.376 6 - 860000 86000.00 30.895 -51.736 -20.841 1294.884756 4.27 0.357 0.722 0.412 1.048 280.295 270.000 6.615 6 - 870000 87000.00 26.079 -58.050 -31.971 1302.716262 4.01 0.500 0.650 0.393 0.868 236.600 270.000 6.280 6 - 880000 88000.00 21.164 -52.046 -30.882 1300.012872 3.67 0.357 0.643 0.360 0.956 192.009 270.000 6.444 6 - 890000 89000.00 24.089 -57.906 -33.817 1309.629311 4.06 0.571 0.600 0.423 0.684 218.552 270.000 6.284 6 - 900000 90000.00 24.875 -42.058 -17.183 1314.551737 2.72 0.357 0.615 0.311 0.550 225.681 270.000 6.562 6 - 910000 91000.00 34.080 -46.642 -12.562 1430.706614 3.05 0.429 0.500 0.254 0.657 309.192 290.000 6.446 6 - 920000 92000.00 47.135 -42.154 4.981 1447.802729 3.21 0.286 0.667 0.330 0.741 427.630 290.000 6.940 6 - 930000 93000.00 33.484 -42.308 -8.824 1456.364737 3.81 0.286 0.636 0.306 0.701 303.785 290.000 6.676 6 - 940000 94000.00 28.911 -33.697 -4.787 1468.422673 2.87 0.286 0.600 0.314 0.569 262.294 290.000 7.249 6 - 950000 95000.00 27.921 -48.548 -20.627 1487.675076 3.82 0.357 0.500 0.350 0.546 253.310 290.000 6.742 6 - 960000 96000.00 31.101 -44.311 -13.209 1490.903347 3.59 0.357 0.583 0.220 0.462 282.168 290.000 6.935 6 - 970000 97000.00 27.445 -43.841 -16.396 1492.603642 3.63 0.214 0.769 0.367 0.720 248.994 290.000 6.868 6 - 980000 98000.00 34.953 -45.720 -10.767 1550.160243 7.09 0.286 0.600 0.205 0.680 317.113 290.000 7.984 6 - 990000 99000.00 40.198 -42.132 -1.934 1557.014087 7.15 0.286 0.667 0.231 0.710 364.695 290.000 7.765 6 - 1000000 100000.00 35.128 -39.379 -4.251 1574.755781 6.93 0.357 0.615 0.206 0.551 318.699 290.000 7.371 6