X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB002.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB002.stat;h=0000000000000000000000000000000000000000;hp=09816d1e98f642323945f10505615220ff7a37fc;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB002.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB002.stat deleted file mode 100644 index 09816d1..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB002.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 33.415 63.862 97.277 0.00 1.000 0.000 0.308 1.972 303.155 300.000 7.001 2 - 10000 100.00 76.434 20.836 97.270 4.02 0.286 0.429 0.240 0.057 693.448 300.000 8.444 2 - 20000 200.00 71.239 26.031 97.270 4.31 0.071 0.857 0.227 0.022 646.317 300.000 8.686 2 - 30000 300.00 64.785 32.487 97.272 5.60 0.143 0.600 0.173 0.049 587.759 300.000 9.926 2 - 40000 400.00 75.812 21.458 97.270 6.47 0.000 1.000 0.318 0.016 687.802 300.000 7.969 2 - 50000 500.00 67.758 29.512 97.270 6.29 0.071 0.667 0.227 0.031 614.736 300.000 8.107 2 - 60000 600.00 76.562 20.708 97.270 5.09 0.071 0.800 0.345 0.079 694.611 300.000 7.743 2 - 70000 700.00 65.837 31.434 97.271 3.83 0.214 0.750 0.386 0.023 597.308 300.000 7.234 2 - 80000 800.00 73.640 23.629 97.269 4.97 0.000 1.000 0.227 0.074 668.098 300.000 9.150 2 - 90000 900.00 61.868 35.403 97.271 7.03 0.071 0.800 0.227 0.025 561.301 300.000 10.136 2 - 100000 1000.00 81.793 15.478 97.270 9.46 0.143 0.333 0.167 0.060 742.064 300.000 12.200 2 - 110000 1100.00 66.157 31.113 97.270 6.96 0.071 0.800 0.173 0.037 600.207 300.000 9.468 2 - 120000 1200.00 78.649 18.622 97.271 6.04 0.071 0.750 0.261 0.044 713.544 300.000 7.986 2 - 130000 1300.00 69.267 28.003 97.270 5.22 0.000 1.000 0.356 0.016 628.427 300.000 7.553 2 - 140000 1400.00 79.721 20.209 99.931 5.22 0.071 0.889 0.227 0.046 723.273 300.000 8.791 2 - 150000 1500.00 74.145 25.784 99.929 5.13 0.000 1.000 0.336 0.061 672.678 300.000 9.537 2 - 160000 1600.00 71.271 28.658 99.929 9.39 0.143 0.500 0.159 0.026 646.611 300.000 11.765 2 - 170000 1700.00 57.513 42.417 99.930 10.88 0.071 0.500 0.182 0.048 521.789 300.000 14.766 2 - 180000 1800.00 64.952 34.977 99.929 7.67 0.000 NaN NaN 0.048 589.276 300.000 12.618 2 - 190000 1900.00 82.006 17.923 99.929 5.40 0.071 0.857 0.299 0.050 743.998 300.000 7.358 2 - 200000 2000.00 69.019 30.911 99.930 6.01 0.071 0.667 0.212 0.029 626.178 300.000 9.367 2 - 210000 2100.00 71.014 28.916 99.930 6.96 0.000 1.000 0.261 0.054 644.279 300.000 9.531 2 - 220000 2200.00 61.518 38.412 99.930 7.61 0.000 1.000 0.227 0.043 558.120 300.000 10.547 2 - 230000 2300.00 73.853 26.076 99.929 7.40 0.071 0.667 0.182 0.038 670.031 300.000 10.829 2 - 240000 2400.00 70.987 28.943 99.930 6.76 0.143 0.500 0.148 0.037 644.032 300.000 10.357 2 - 250000 2500.00 79.429 20.499 99.929 6.58 0.071 0.750 0.216 0.033 720.624 300.000 9.963 2 - 260000 2600.00 66.209 33.721 99.929 7.13 0.071 0.750 0.193 0.029 600.681 300.000 9.713 2 - 270000 2700.00 67.802 32.127 99.930 9.16 0.000 1.000 0.273 0.024 615.137 300.000 12.520 2 - 280000 2800.00 65.285 34.644 99.930 8.97 0.000 1.000 0.273 0.019 592.304 300.000 12.322 2 - 290000 2900.00 69.711 30.217 99.928 7.60 0.071 0.833 0.220 0.042 632.452 300.000 9.485 2 - 300000 3000.00 76.459 23.470 99.929 6.63 0.286 0.429 0.162 0.045 693.677 300.000 8.120 2 - 310000 3100.00 72.941 26.989 99.930 5.60 0.071 0.500 0.159 0.010 661.756 300.000 9.740 2 - 320000 3200.00 67.721 32.210 99.930 3.72 0.071 0.500 0.182 0.032 614.399 300.000 8.423 2 - 330000 3300.00 68.546 31.383 99.929 4.99 0.071 0.750 0.182 0.048 621.885 300.000 9.114 2 - 340000 3400.00 70.568 29.361 99.930 10.63 0.071 0.000 0.136 0.025 640.230 300.000 13.595 2 - 350000 3500.00 64.614 35.316 99.930 10.04 0.071 0.000 0.182 0.044 586.208 300.000 12.869 2 - 360000 3600.00 76.002 23.927 99.929 7.57 0.143 0.500 0.159 0.041 689.534 300.000 10.779 2 - 370000 3700.00 74.699 25.229 99.928 4.82 0.071 0.800 0.191 0.023 677.708 300.000 8.001 2 - 380000 3800.00 69.788 30.141 99.929 4.53 0.071 0.800 0.209 0.061 633.149 300.000 8.210 2 - 390000 3900.00 58.083 41.848 99.931 4.61 0.000 1.000 0.386 0.026 526.959 300.000 8.511 2 - 400000 4000.00 66.744 33.185 99.929 4.08 0.357 0.375 0.199 0.039 605.535 300.000 8.062 2 - 410000 4100.00 75.366 24.565 99.931 3.73 0.071 0.800 0.245 0.015 683.760 300.000 7.392 2 - 420000 4200.00 71.777 28.153 99.930 4.23 0.071 0.500 0.182 0.043 651.200 300.000 9.144 2 - 430000 4300.00 58.943 40.988 99.930 5.34 0.143 0.600 0.245 0.042 534.759 300.000 8.080 2 - 440000 4400.00 75.847 24.081 99.928 8.49 0.000 1.000 0.273 0.013 688.121 300.000 9.886 2 - 450000 4500.00 74.169 25.761 99.930 5.88 0.357 0.375 0.170 0.038 672.899 300.000 9.397 2 - 460000 4600.00 74.737 25.192 99.929 5.10 0.143 0.600 0.155 0.040 678.050 300.000 8.996 2 - 470000 4700.00 83.276 16.652 99.928 3.68 0.286 0.556 0.227 0.036 755.525 300.000 7.788 2 - 480000 4800.00 74.971 24.959 99.929 3.64 0.214 0.667 0.222 0.039 680.173 300.000 7.855 2 - 490000 4900.00 70.246 29.684 99.930 3.70 0.143 0.714 0.208 0.069 637.310 300.000 8.207 2 - 500000 5000.00 78.921 21.008 99.928 7.47 0.071 0.500 0.159 0.056 716.008 300.000 11.003 2 - 510000 5100.00 67.509 32.420 99.928 9.08 0.071 0.500 0.136 0.017 612.474 300.000 11.838 2 - 520000 5200.00 71.997 27.931 99.928 7.89 0.071 0.500 0.159 0.054 653.195 300.000 11.522 2 - 530000 5300.00 81.465 18.464 99.929 6.23 0.071 0.667 0.227 0.046 739.092 300.000 10.162 2 - 540000 5400.00 84.153 15.775 99.928 6.22 0.214 0.769 0.346 0.051 763.482 300.000 8.163 2 - 550000 5500.00 65.444 34.486 99.930 6.55 0.071 0.833 0.439 0.025 593.740 300.000 8.420 2 - 560000 5600.00 68.365 31.565 99.930 8.37 0.071 0.000 0.136 0.038 620.240 300.000 10.721 2 - 570000 5700.00 63.312 36.618 99.930 9.65 0.071 0.500 0.159 0.053 574.395 300.000 13.231 2 - 580000 5800.00 65.185 34.745 99.930 9.14 0.143 0.000 0.182 0.052 591.389 300.000 11.632 2 - 590000 5900.00 56.842 43.088 99.930 8.38 0.143 0.000 0.159 0.015 515.700 300.000 12.436 2 - 600000 6000.00 71.648 28.282 99.930 7.57 0.071 0.500 0.136 0.040 650.023 300.000 12.742 2 - 610000 6100.00 71.249 28.681 99.930 6.96 0.214 0.250 0.193 0.033 646.403 300.000 10.717 2 - 620000 6200.00 76.224 23.705 99.929 6.82 0.000 1.000 0.273 0.031 691.546 300.000 8.903 2 - 630000 6300.00 76.810 23.119 99.929 7.10 0.000 1.000 0.212 0.020 696.860 300.000 8.965 2 - 640000 6400.00 69.403 30.527 99.930 9.07 0.000 NaN NaN 0.028 629.659 300.000 12.857 2 - 650000 6500.00 78.388 21.541 99.929 9.50 0.000 1.000 0.182 0.039 711.175 300.000 12.330 2 - 660000 6600.00 71.487 28.442 99.928 6.28 0.000 1.000 0.167 0.078 648.565 300.000 9.395 2 - 670000 6700.00 78.037 21.891 99.928 5.08 0.000 1.000 0.288 0.055 707.992 300.000 7.846 2 - 680000 6800.00 77.853 22.076 99.929 4.35 0.000 1.000 0.239 0.091 706.321 300.000 8.130 2 - 690000 6900.00 69.495 30.434 99.929 4.17 0.000 1.000 0.182 0.039 630.491 300.000 8.439 2 - 700000 7000.00 66.857 33.073 99.930 5.49 0.071 0.750 0.205 0.039 606.562 300.000 9.162 2 - 710000 7100.00 78.484 21.445 99.930 7.52 0.143 0.714 0.162 0.024 712.051 300.000 11.238 2 - 720000 7200.00 68.828 31.102 99.930 5.45 0.000 1.000 0.182 0.026 624.440 300.000 10.121 2 - 730000 7300.00 80.024 19.902 99.927 5.06 0.071 0.000 0.136 0.024 726.023 300.000 8.811 2 - 740000 7400.00 64.747 35.179 99.927 6.85 0.071 0.000 0.136 0.019 587.422 300.000 8.693 2 - 750000 7500.00 77.183 22.744 99.927 8.30 0.071 0.750 0.193 0.013 700.248 300.000 10.356 2 - 760000 7600.00 78.619 21.308 99.926 5.35 0.143 0.667 0.205 0.042 713.271 300.000 8.945 2 - 770000 7700.00 72.128 27.798 99.927 6.13 0.143 0.600 0.182 0.025 654.387 300.000 9.949 2 - 780000 7800.00 76.004 23.922 99.926 6.84 0.143 0.000 0.205 0.026 689.550 300.000 8.633 2 - 790000 7900.00 79.399 20.527 99.927 7.54 0.143 0.600 0.173 0.025 720.352 300.000 8.887 2 - 800000 8000.00 64.828 35.099 99.926 7.61 0.071 0.750 0.216 0.027 588.150 300.000 8.695 2 - 810000 8100.00 76.349 23.578 99.926 6.51 0.214 0.400 0.209 0.049 692.674 300.000 9.181 2 - 820000 8200.00 65.255 34.671 99.926 3.55 0.071 0.500 0.227 0.033 592.030 300.000 8.063 2 - 830000 8300.00 67.556 32.372 99.927 4.38 0.000 1.000 0.182 0.036 612.899 300.000 8.762 2 - 840000 8400.00 77.048 22.878 99.926 4.42 0.214 0.500 0.189 0.028 699.020 300.000 9.181 2 - 850000 8500.00 69.387 30.539 99.926 7.85 0.000 1.000 0.136 0.052 629.511 300.000 11.382 2 - 860000 8600.00 73.139 26.787 99.926 9.07 0.071 0.500 0.136 0.048 663.553 300.000 13.041 2 - 870000 8700.00 72.112 27.815 99.927 7.22 0.071 0.667 0.167 0.073 654.235 300.000 11.022 2 - 880000 8800.00 67.696 32.230 99.927 6.35 0.000 1.000 0.136 0.031 614.177 300.000 9.487 2 - 890000 8900.00 62.777 37.149 99.926 6.44 0.000 1.000 0.398 0.036 569.547 300.000 8.165 2 - 900000 9000.00 67.686 32.240 99.925 6.86 0.000 1.000 0.318 0.036 614.078 300.000 10.022 2 - 910000 9100.00 77.827 22.099 99.926 6.80 0.071 0.750 0.182 0.044 706.084 300.000 10.410 2 - 920000 9200.00 88.732 11.194 99.926 7.45 0.000 1.000 0.182 0.030 805.026 300.000 9.948 2 - 930000 9300.00 72.123 27.803 99.926 8.12 0.143 0.667 0.197 0.051 654.341 300.000 10.333 2 - 940000 9400.00 72.287 27.640 99.927 9.63 0.143 0.000 0.136 0.025 655.824 300.000 12.890 2 - 950000 9500.00 70.645 29.282 99.927 10.79 0.000 NaN NaN 0.041 640.927 300.000 13.515 2 - 960000 9600.00 64.050 35.878 99.927 8.18 0.000 1.000 0.295 0.010 581.090 300.000 11.314 2 - 970000 9700.00 66.202 33.724 99.926 5.42 0.000 1.000 0.197 0.014 600.622 300.000 8.518 2 - 980000 9800.00 84.613 15.314 99.927 5.64 0.143 0.714 0.247 0.007 767.656 300.000 8.585 2 - 990000 9900.00 70.263 29.663 99.926 5.78 0.000 1.000 0.227 0.016 637.460 300.000 8.639 2 - 1000000 10000.00 66.239 33.688 99.927 6.50 0.000 1.000 0.295 0.017 600.953 300.000 9.456 2