X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro_GB001.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FVTS%2Fff_1l2y%2F1L2Y_micro_GB001.stat;h=7d014254720f63ba94f691ed8ccd536d0f50992b;hb=5a8c1962b1eafdefe5001ce9207372e68d31960a;hp=0000000000000000000000000000000000000000;hpb=ee9b6d7c3bd62a81233e4589fa26a3641622262f;p=unres.git diff --git a/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB001.stat b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB001.stat new file mode 100644 index 0000000..7d01425 --- /dev/null +++ b/examples/unres/new/microcanonical/VTS/ff_1l2y/1L2Y_micro_GB001.stat @@ -0,0 +1,101 @@ + 0 0.00 30.401 115.074 145.475 12.87 0.000 NaN NaN 4.850 275.816 300.000 15.552 1 + 10000 1000.00 32.824 -24.048 8.776 3.19 0.214 0.700 0.286 0.094 297.797 300.000 6.659 1 + 20000 2000.00 31.781 -20.558 11.223 4.48 0.214 0.625 0.250 0.254 288.330 300.000 7.059 1 + 30000 3000.00 33.879 -31.321 2.557 2.43 0.357 0.500 0.282 0.184 307.366 300.000 7.151 1 + 40000 4000.00 32.422 -22.174 10.248 3.81 0.143 0.800 0.277 0.290 294.151 300.000 6.784 1 + 50000 5000.00 32.222 -28.031 4.191 2.90 0.571 0.467 0.248 0.402 292.334 300.000 6.564 1 + 60000 6000.00 32.342 -20.167 12.175 3.16 0.357 0.583 0.231 0.246 293.424 300.000 7.092 1 + 70000 7000.00 32.678 -16.391 16.287 4.52 0.214 0.700 0.214 0.111 296.470 300.000 8.144 1 + 80000 8000.00 33.166 -29.241 3.925 3.09 0.286 0.750 0.259 0.167 300.897 300.000 6.933 1 + 90000 9000.00 31.884 -22.077 9.807 2.62 0.214 0.571 0.175 0.311 289.272 300.000 7.290 1 + 100000 10000.00 33.418 -19.199 14.219 4.15 0.143 0.800 0.314 0.209 303.183 300.000 6.879 1 + 110000 11000.00 32.563 -18.178 14.385 3.92 0.143 0.800 0.445 0.253 295.426 300.000 6.735 1 + 120000 12000.00 32.384 -27.884 4.499 3.14 0.214 0.727 0.372 0.249 293.801 300.000 6.576 1 + 130000 13000.00 33.407 -34.490 -1.084 3.65 0.286 0.714 0.390 0.140 303.081 300.000 6.602 1 + 140000 14000.00 33.771 -33.216 0.555 3.91 0.286 0.750 0.403 0.158 306.387 300.000 6.629 1 + 150000 15000.00 33.135 -28.328 4.807 2.56 0.429 0.455 0.335 0.263 300.619 300.000 6.839 1 + 160000 16000.00 34.539 -23.150 11.389 3.12 0.357 0.643 0.321 0.209 313.355 300.000 6.980 1 + 170000 17000.00 32.974 -25.503 7.471 3.99 0.286 0.556 0.232 0.193 299.155 300.000 7.345 1 + 180000 18000.00 32.358 -32.528 -0.169 3.03 0.071 0.929 0.357 0.174 293.572 300.000 6.308 1 + 190000 19000.00 32.467 -22.803 9.664 3.49 0.214 0.727 0.281 0.156 294.556 300.000 6.850 1 + 200000 20000.00 33.670 -31.186 2.484 2.74 0.357 0.500 0.218 0.150 305.468 300.000 7.143 1 + 210000 21000.00 33.299 -34.288 -0.990 2.89 0.357 0.643 0.263 0.181 302.105 300.000 6.686 1 + 220000 22000.00 33.249 -28.287 4.962 2.64 0.571 0.429 0.192 0.161 301.654 300.000 6.796 1 + 230000 23000.00 33.296 -22.798 10.498 4.45 0.286 0.500 0.159 0.384 302.079 300.000 7.942 1 + 240000 24000.00 32.307 -23.326 8.981 3.46 0.357 0.667 0.364 0.483 293.106 300.000 6.632 1 + 250000 25000.00 31.872 -23.391 8.482 3.15 0.286 0.636 0.269 0.328 289.163 300.000 6.548 1 + 260000 26000.00 33.054 -20.849 12.205 3.11 0.357 0.667 0.318 0.146 299.885 300.000 6.915 1 + 270000 27000.00 32.035 -14.648 17.387 3.89 0.357 0.545 0.302 0.427 290.641 300.000 7.162 1 + 280000 28000.00 34.012 -26.590 7.423 3.28 0.214 0.700 0.377 0.152 308.578 300.000 6.741 1 + 290000 29000.00 32.612 -31.531 1.080 3.29 0.214 0.750 0.360 0.160 295.870 300.000 6.643 1 + 300000 30000.00 33.356 -22.593 10.763 3.38 0.286 0.600 0.268 0.525 302.623 300.000 7.439 1 + 310000 31000.00 33.191 -20.653 12.538 3.48 0.286 0.500 0.273 0.369 301.125 300.000 6.851 1 + 320000 32000.00 33.156 -26.781 6.375 3.97 0.143 0.846 0.346 0.236 300.812 300.000 6.560 1 + 330000 33000.00 32.717 -31.892 0.826 4.07 0.214 0.842 0.289 0.247 296.827 300.000 6.421 1 + 340000 34000.00 33.484 -31.238 2.246 3.94 0.143 0.857 0.390 0.283 303.781 300.000 7.075 1 + 350000 35000.00 32.691 -29.995 2.697 3.59 0.143 0.778 0.328 0.340 296.594 300.000 6.636 1 + 360000 36000.00 33.158 -31.365 1.793 2.57 0.357 0.615 0.227 0.460 300.827 300.000 6.998 1 + 370000 37000.00 34.221 -14.147 20.074 3.10 0.214 0.750 0.277 0.140 310.472 300.000 6.935 1 + 380000 38000.00 33.069 -23.071 9.998 3.98 0.214 0.786 0.383 0.177 300.022 300.000 6.989 1 + 390000 39000.00 31.981 -27.126 4.856 2.90 0.500 0.500 0.273 0.309 290.151 300.000 7.169 1 + 400000 40000.00 32.797 -29.587 3.210 3.40 0.143 0.867 0.376 0.219 297.551 300.000 6.606 1 + 410000 41000.00 33.752 -33.460 0.292 3.09 0.214 0.700 0.255 0.174 306.213 300.000 7.322 1 + 420000 42000.00 33.486 -32.364 1.122 2.82 0.357 0.444 0.172 0.156 303.803 300.000 7.546 1 + 430000 43000.00 32.431 -19.637 12.794 3.27 0.286 0.600 0.282 0.166 294.230 300.000 7.122 1 + 440000 44000.00 33.455 -21.212 12.243 3.21 0.071 0.923 0.241 0.082 303.522 300.000 7.340 1 + 450000 45000.00 32.767 -28.636 4.131 3.07 0.286 0.714 0.305 0.145 297.281 300.000 6.578 1 + 460000 46000.00 33.299 -23.439 9.859 2.62 0.214 0.727 0.215 0.414 302.104 300.000 7.014 1 + 470000 47000.00 33.696 -26.591 7.104 3.50 0.286 0.750 0.341 0.430 305.703 300.000 6.577 1 + 480000 48000.00 33.102 -30.179 2.923 2.74 0.357 0.444 0.177 0.148 300.319 300.000 7.131 1 + 490000 49000.00 32.595 -19.736 12.858 2.85 0.214 0.700 0.295 0.143 295.715 300.000 7.020 1 + 500000 50000.00 32.415 -25.808 6.608 3.35 0.286 0.600 0.191 0.323 294.087 300.000 7.667 1 + 510000 51000.00 31.765 -32.649 -0.884 2.38 0.429 0.500 0.303 0.348 288.184 300.000 6.977 1 + 520000 52000.00 32.754 -32.988 -0.234 3.06 0.357 0.688 0.355 0.214 297.160 300.000 6.730 1 + 530000 53000.00 34.437 -22.096 12.341 3.18 0.214 0.625 0.182 0.261 312.433 300.000 7.242 1 + 540000 54000.00 33.408 -32.831 0.577 2.68 0.286 0.765 0.267 0.238 303.095 300.000 6.574 1 + 550000 55000.00 33.006 -33.036 -0.031 3.24 0.286 0.733 0.433 0.098 299.443 300.000 6.351 1 + 560000 56000.00 32.728 -28.295 4.433 6.73 0.143 0.714 0.195 0.409 296.925 300.000 8.826 1 + 570000 57000.00 32.467 -28.200 4.268 2.75 0.357 0.444 0.338 0.367 294.562 300.000 7.041 1 + 580000 58000.00 32.820 -26.233 6.587 5.87 0.214 0.625 0.170 0.077 297.764 300.000 8.582 1 + 590000 59000.00 34.748 -31.763 2.985 3.23 0.357 0.688 0.310 0.325 315.252 300.000 6.525 1 + 600000 60000.00 33.452 -12.882 20.570 3.18 0.286 0.500 0.182 0.109 303.497 300.000 7.521 1 + 610000 61000.00 32.303 -23.481 8.822 6.63 0.286 0.667 0.193 0.159 293.072 300.000 8.143 1 + 620000 62000.00 32.729 -19.413 13.316 5.08 0.071 0.750 0.159 0.104 296.933 300.000 8.677 1 + 630000 63000.00 31.902 -23.915 7.986 5.62 0.143 0.833 0.261 0.353 289.428 300.000 6.636 1 + 640000 63999.90 32.689 -25.619 7.069 6.58 0.143 0.714 0.208 0.467 296.570 300.000 6.978 1 + 650000 64999.90 33.086 -37.166 -4.080 5.45 0.143 0.833 0.280 0.554 300.174 300.000 6.839 1 + 660000 65999.90 32.791 -21.270 11.521 5.78 0.214 0.700 0.282 0.663 297.499 300.000 7.695 1 + 670000 66999.90 32.396 -23.781 8.616 5.78 0.214 0.700 0.255 0.390 293.917 300.000 7.069 1 + 680000 67999.90 31.789 -26.184 5.605 6.16 0.000 1.000 0.237 0.417 288.407 300.000 7.514 1 + 690000 68999.90 32.187 -22.317 9.870 6.40 0.143 0.818 0.231 0.626 292.014 300.000 7.409 1 + 700000 69999.90 33.160 -24.343 8.817 6.48 0.286 0.556 0.197 0.201 300.843 300.000 7.301 1 + 710000 70999.90 32.440 -17.495 14.945 5.05 0.000 1.000 0.182 0.347 294.315 300.000 7.395 1 + 720000 71999.90 32.336 -23.730 8.606 2.88 0.286 0.733 0.291 0.355 293.366 300.000 6.712 1 + 730000 72999.90 32.469 -22.016 10.453 2.58 0.357 0.615 0.301 0.518 294.574 300.000 6.911 1 + 740000 73999.90 33.056 -23.182 9.874 2.98 0.357 0.583 0.273 0.151 299.901 300.000 6.629 1 + 750000 74999.90 32.803 -19.334 13.469 4.19 0.286 0.765 0.316 0.653 297.604 300.000 6.342 1 + 760000 75999.90 33.584 -28.631 4.953 3.27 0.429 0.538 0.297 0.323 304.692 300.000 6.640 1 + 770000 76999.90 32.505 -18.348 14.157 3.17 0.286 0.600 0.218 0.237 294.900 300.000 7.514 1 + 780000 77999.90 33.173 -30.010 3.163 2.89 0.429 0.455 0.215 0.405 300.964 300.000 7.049 1 + 790000 78999.90 31.221 -27.586 3.635 2.53 0.571 0.467 0.245 0.411 283.256 300.000 6.700 1 + 800000 79999.90 32.376 -28.812 3.564 3.05 0.357 0.583 0.208 0.414 293.733 300.000 7.404 1 + 810000 80999.90 33.842 -27.237 6.605 3.63 0.143 0.857 0.354 0.398 307.034 300.000 6.862 1 + 820000 81999.90 31.896 -27.349 4.547 3.72 0.286 0.778 0.318 0.465 289.374 300.000 6.532 1 + 830000 82999.90 33.472 -21.054 12.417 5.99 0.214 0.625 0.170 0.259 303.672 300.000 9.186 1 + 840000 83999.90 33.547 -29.293 4.253 3.09 0.143 0.778 0.242 0.144 304.352 300.000 6.973 1 + 850000 84999.90 33.079 -26.188 6.891 3.40 0.286 0.636 0.264 0.242 300.111 300.000 6.789 1 + 860000 85999.90 31.710 -14.547 17.163 2.67 0.071 0.889 0.217 0.430 287.690 300.000 7.522 1 + 870000 86999.90 32.663 -29.145 3.518 2.95 0.286 0.600 0.241 0.304 296.338 300.000 7.162 1 + 880000 87999.90 33.247 -23.337 9.910 3.24 0.357 0.615 0.280 0.364 301.637 300.000 6.596 1 + 890000 88999.90 32.288 -25.172 7.116 2.46 0.429 0.500 0.242 0.208 292.933 300.000 7.189 1 + 900000 89999.90 32.639 -29.765 2.875 3.91 0.357 0.667 0.333 0.266 296.121 300.000 6.630 1 + 910000 90999.90 32.385 -25.940 6.446 3.35 0.357 0.375 0.170 0.096 293.817 300.000 7.785 1 + 920000 91999.90 33.341 -24.659 8.682 2.79 0.357 0.706 0.340 0.422 302.485 300.000 6.905 1 + 930000 92999.90 32.305 -16.423 15.883 3.70 0.357 0.615 0.364 0.402 293.090 300.000 6.879 1 + 940000 93999.90 32.670 -18.650 14.020 3.38 0.214 0.625 0.222 0.121 296.403 300.000 7.353 1 + 950000 94999.90 33.380 -24.611 8.770 3.31 0.214 0.727 0.264 0.215 302.845 300.000 6.993 1 + 960000 95999.90 32.934 -30.355 2.579 2.53 0.357 0.615 0.234 0.103 298.793 300.000 7.217 1 + 970000 96999.90 32.403 -35.503 -3.099 2.75 0.429 0.647 0.294 0.383 293.979 300.000 6.836 1 + 980000 97999.90 33.142 -32.041 1.101 2.49 0.500 0.588 0.289 0.278 300.681 300.000 6.772 1 + 990000 98999.90 33.063 -16.155 16.908 3.70 0.214 0.700 0.182 0.112 299.963 300.000 7.684 1 + 1000000 99999.90 33.456 -26.768 6.688 3.06 0.143 0.833 0.284 0.182 303.527 300.000 6.629 1