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_GB007.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB007.stat;h=0000000000000000000000000000000000000000;hp=9c8d05bcf4053cd91be5fbe6ad3ba34943e02161;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB007.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB007.stat deleted file mode 100644 index 9c8d05b..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB007.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 36.440 63.862 100.302 0.00 1.000 0.000 0.308 1.972 330.602 300.000 7.001 7 - 10000 100.00 65.615 34.682 100.297 3.89 0.143 0.800 0.359 0.107 595.293 300.000 7.281 7 - 20000 200.00 75.239 25.056 100.295 3.06 0.143 0.600 0.164 0.060 682.605 300.000 7.812 7 - 30000 300.00 59.450 40.847 100.298 6.44 0.000 1.000 0.182 0.018 539.365 300.000 10.548 7 - 40000 400.00 68.490 31.805 100.295 9.60 0.071 0.857 0.195 0.091 621.380 300.000 12.871 7 - 50000 500.00 78.247 22.048 100.295 8.75 0.000 1.000 0.182 0.031 709.901 300.000 11.767 7 - 60000 600.00 69.842 30.454 100.296 6.09 0.071 0.889 0.328 0.040 633.643 300.000 7.799 7 - 70000 700.00 68.462 31.835 100.297 5.50 0.214 0.625 0.301 0.012 621.126 300.000 7.366 7 - 80000 800.00 63.333 36.964 100.297 4.35 0.286 0.333 0.197 0.016 574.592 300.000 8.283 7 - 90000 900.00 58.383 41.913 100.296 8.98 0.071 0.000 0.136 0.017 529.685 300.000 12.629 7 - 100000 1000.00 52.804 47.493 100.297 11.71 0.000 NaN NaN 0.013 479.061 300.000 15.559 7 - 110000 1100.00 60.203 40.094 100.297 9.91 0.000 1.000 0.182 0.055 546.191 300.000 13.025 7 - 120000 1200.00 74.449 25.847 100.296 5.49 0.071 0.800 0.227 0.072 675.442 300.000 9.863 7 - 130000 1300.00 74.783 25.513 100.296 4.23 0.214 0.500 0.265 0.036 678.471 300.000 7.677 7 - 140000 1400.00 87.097 13.199 100.297 4.08 0.143 0.800 0.264 0.026 790.193 300.000 7.352 7 - 150000 1500.00 81.857 18.439 100.296 4.08 0.071 0.800 0.218 0.067 742.651 300.000 7.975 7 - 160000 1600.00 70.990 29.307 100.297 7.04 0.071 0.500 0.159 0.019 644.058 300.000 10.649 7 - 170000 1700.00 81.409 18.886 100.296 6.22 0.071 0.667 0.167 0.080 738.587 300.000 9.373 7 - 180000 1800.00 75.140 25.156 100.296 5.19 0.000 1.000 0.364 0.030 681.712 300.000 7.679 7 - 190000 1900.00 79.588 20.708 100.296 6.13 0.071 0.833 0.167 0.043 722.066 300.000 9.068 7 - 200000 2000.00 66.153 34.144 100.297 10.84 0.000 1.000 0.205 0.030 600.177 300.000 14.212 7 - 210000 2100.00 73.190 27.107 100.297 10.91 0.000 1.000 0.136 0.016 664.021 300.000 14.067 7 - 220000 2200.00 74.264 26.032 100.296 7.54 0.071 0.667 0.167 0.033 673.763 300.000 9.516 7 - 230000 2300.00 63.452 36.844 100.296 5.52 0.214 0.000 0.152 0.034 575.669 300.000 9.292 7 - 240000 2400.00 64.052 36.244 100.297 6.68 0.071 0.000 0.136 0.024 581.115 300.000 11.062 7 - 250000 2500.00 65.143 35.154 100.297 8.71 0.000 NaN NaN 0.039 591.008 300.000 12.447 7 - 260000 2600.00 73.967 26.330 100.296 8.64 0.000 1.000 0.227 0.011 671.063 300.000 11.480 7 - 270000 2700.00 66.170 34.127 100.297 7.75 0.000 NaN NaN 0.044 600.328 300.000 10.695 7 - 280000 2800.00 71.792 28.503 100.295 8.50 0.000 1.000 0.212 0.035 651.335 300.000 11.472 7 - 290000 2900.00 73.876 26.421 100.297 8.00 0.000 NaN NaN 0.024 670.242 300.000 11.201 7 - 300000 3000.00 68.164 32.132 100.296 7.52 0.143 0.500 0.250 0.107 618.415 300.000 9.429 7 - 310000 3100.00 80.583 19.714 100.297 6.42 0.286 0.600 0.232 0.040 731.092 300.000 7.832 7 - 320000 3200.00 61.150 39.147 100.297 6.46 0.000 NaN NaN 0.041 554.787 300.000 11.112 7 - 330000 3300.00 71.966 28.330 100.297 6.83 0.071 0.500 0.250 0.047 652.916 300.000 11.335 7 - 340000 3400.00 72.760 27.536 100.296 6.78 0.071 0.750 0.148 0.029 660.117 300.000 11.253 7 - 350000 3500.00 68.230 32.067 100.297 5.75 0.000 1.000 0.295 0.020 619.016 300.000 9.628 7 - 360000 3600.00 72.095 28.200 100.296 5.36 0.071 0.750 0.239 0.012 654.085 300.000 9.002 7 - 370000 3700.00 71.403 28.893 100.296 8.38 0.143 0.333 0.167 0.014 647.809 300.000 11.808 7 - 380000 3800.00 64.116 36.180 100.296 9.12 0.000 1.000 0.227 0.013 581.694 300.000 12.954 7 - 390000 3900.00 57.289 43.008 100.296 6.22 0.000 1.000 0.159 0.032 519.754 300.000 8.798 7 - 400000 4000.00 71.083 29.214 100.297 5.42 0.071 0.667 0.242 0.012 644.899 300.000 8.446 7 - 410000 4100.00 71.133 29.164 100.297 5.06 0.071 0.800 0.327 0.040 645.352 300.000 8.233 7 - 420000 4200.00 79.130 21.165 100.295 6.02 0.143 0.714 0.331 0.030 717.911 300.000 6.965 7 - 430000 4300.00 76.850 23.446 100.296 6.51 0.071 0.500 0.159 0.053 697.221 300.000 10.426 7 - 440000 4400.00 79.794 20.503 100.298 8.45 0.143 0.500 0.148 0.025 723.933 300.000 12.824 7 - 450000 4500.00 68.799 31.497 100.296 8.92 0.000 NaN NaN 0.024 624.184 300.000 12.894 7 - 460000 4600.00 71.260 29.036 100.296 6.74 0.071 0.875 0.301 0.023 646.506 300.000 6.896 7 - 470000 4700.00 62.062 38.235 100.296 6.41 0.000 1.000 0.318 0.035 563.055 300.000 8.536 7 - 480000 4800.00 74.610 25.686 100.296 7.85 0.214 0.250 0.136 0.057 676.899 300.000 11.468 7 - 490000 4900.00 70.122 30.174 100.296 6.89 0.071 0.750 0.148 0.060 636.186 300.000 9.869 7 - 500000 5000.00 73.865 26.431 100.297 5.50 0.214 0.571 0.240 0.055 670.144 300.000 8.588 7 - 510000 5100.00 67.046 33.251 100.297 6.05 0.143 0.500 0.148 0.047 608.275 300.000 9.784 7 - 520000 5200.00 66.826 33.469 100.295 7.81 0.071 0.667 0.152 0.033 606.284 300.000 11.555 7 - 530000 5300.00 71.248 29.047 100.295 9.61 0.000 1.000 0.136 0.115 646.398 300.000 12.346 7 - 540000 5400.00 79.734 20.562 100.296 5.68 0.286 0.556 0.237 0.043 723.385 300.000 9.210 7 - 550000 5500.00 69.502 30.795 100.297 5.36 0.071 0.750 0.170 0.038 630.561 300.000 7.645 7 - 560000 5600.00 56.352 43.945 100.297 5.17 0.071 0.500 0.159 0.057 511.259 300.000 9.317 7 - 570000 5700.00 68.528 31.768 100.296 8.21 0.143 0.500 0.148 0.024 621.721 300.000 10.761 7 - 580000 5800.00 59.354 40.942 100.296 7.67 0.071 0.000 0.136 0.040 538.495 300.000 11.736 7 - 590000 5900.00 72.579 27.718 100.297 6.55 0.000 1.000 0.364 0.018 658.477 300.000 10.793 7 - 600000 6000.00 67.940 32.357 100.297 4.84 0.071 0.500 0.136 0.024 616.386 300.000 9.343 7 - 610000 6100.00 76.471 23.824 100.295 6.13 0.143 0.333 0.167 0.042 693.787 300.000 9.490 7 - 620000 6200.00 60.918 39.379 100.297 6.71 0.000 1.000 0.136 0.031 552.680 300.000 11.177 7 - 630000 6300.00 64.687 35.608 100.296 9.88 0.071 0.000 0.136 0.063 586.877 300.000 13.476 7 - 640000 6400.00 61.410 38.887 100.297 7.79 0.000 NaN NaN 0.012 557.139 300.000 12.399 7 - 650000 6500.00 71.898 28.397 100.296 6.01 0.000 1.000 0.182 0.052 652.297 300.000 9.714 7 - 660000 6600.00 71.912 28.384 100.296 6.35 0.143 0.750 0.244 0.076 652.426 300.000 8.094 7 - 670000 6700.00 65.855 34.441 100.296 5.77 0.143 0.333 0.167 0.052 597.469 300.000 9.714 7 - 680000 6800.00 63.384 36.912 100.297 5.51 0.071 0.500 0.250 0.044 575.055 300.000 9.497 7 - 690000 6900.00 69.039 31.257 100.296 5.85 0.214 0.250 0.159 0.031 626.354 300.000 10.403 7 - 700000 7000.00 76.720 23.576 100.296 7.44 0.000 1.000 0.205 0.038 696.047 300.000 12.045 7 - 710000 7100.00 71.525 28.772 100.296 6.55 0.071 0.000 0.136 0.040 648.910 300.000 10.631 7 - 720000 7200.00 84.280 16.017 100.296 6.27 0.143 0.667 0.220 0.025 764.628 300.000 9.082 7 - 730000 7300.00 80.427 19.870 100.297 5.32 0.143 0.000 0.136 0.033 729.675 300.000 9.254 7 - 740000 7400.00 79.058 21.238 100.295 3.64 0.071 0.833 0.280 0.057 717.251 300.000 7.896 7 - 750000 7500.00 66.829 33.467 100.297 5.45 0.000 1.000 0.167 0.040 606.311 300.000 8.032 7 - 760000 7600.00 69.655 30.642 100.296 9.52 0.214 0.571 0.156 0.042 631.944 300.000 11.105 7 - 770000 7700.00 56.204 44.093 100.297 7.77 0.071 0.500 0.136 0.031 509.910 300.000 12.002 7 - 780000 7800.00 67.349 32.947 100.296 5.01 0.214 0.400 0.145 0.048 611.023 300.000 9.143 7 - 790000 7900.00 63.596 36.701 100.297 4.98 0.143 0.800 0.455 0.029 576.976 300.000 8.148 7 - 800000 8000.00 59.254 41.043 100.297 6.23 0.071 0.875 0.233 0.044 537.581 300.000 7.352 7 - 810000 8100.00 70.499 29.798 100.297 8.66 0.071 0.000 0.136 0.021 639.602 300.000 10.941 7 - 820000 8200.00 54.025 46.273 100.298 8.17 0.071 0.500 0.159 0.023 490.144 300.000 11.848 7 - 830000 8300.00 73.144 27.153 100.296 8.99 0.000 1.000 0.136 0.050 663.597 300.000 11.326 7 - 840000 8400.00 58.796 41.500 100.297 6.50 0.071 0.900 0.245 0.028 533.432 300.000 9.270 7 - 850000 8500.00 67.963 32.334 100.296 6.14 0.143 0.000 0.159 0.034 616.593 300.000 10.889 7 - 860000 8600.00 65.460 34.836 100.296 6.45 0.000 1.000 0.182 0.026 593.889 300.000 10.138 7 - 870000 8700.00 79.639 20.658 100.296 5.37 0.000 1.000 0.364 0.019 722.522 300.000 8.512 7 - 880000 8800.00 70.890 29.413 100.303 4.33 0.143 0.333 0.227 0.043 643.149 300.000 8.545 7 - 890000 8900.00 78.466 21.837 100.304 4.32 0.143 0.500 0.193 0.020 711.888 300.000 8.355 7 - 900000 9000.00 63.468 36.835 100.303 6.81 0.071 0.800 0.309 0.077 575.814 300.000 8.647 7 - 910000 9100.00 69.158 31.145 100.303 5.93 0.000 1.000 0.288 0.057 627.441 300.000 9.073 7 - 920000 9200.00 56.478 43.825 100.303 5.87 0.000 1.000 0.205 0.017 512.400 300.000 9.074 7 - 930000 9300.00 60.536 39.768 100.303 6.29 0.143 0.600 0.200 0.052 549.212 300.000 8.273 7 - 940000 9400.00 70.399 29.905 100.305 4.91 0.071 0.800 0.509 0.023 638.699 300.000 7.377 7 - 950000 9500.00 78.200 22.102 100.302 5.49 0.143 0.667 0.371 0.066 709.469 300.000 8.531 7 - 960000 9600.00 66.779 33.524 100.303 7.07 0.071 0.000 0.136 0.056 605.851 300.000 10.422 7 - 970000 9700.00 70.819 29.484 100.303 8.47 0.071 0.750 0.148 0.066 642.507 300.000 11.623 7 - 980000 9800.00 71.485 28.817 100.302 8.38 0.071 0.500 0.159 0.057 648.552 300.000 11.129 7 - 990000 9900.00 66.125 34.179 100.304 5.63 0.071 0.800 0.427 0.030 599.922 300.000 7.729 7 - 1000000 10000.00 73.889 26.414 100.302 6.21 0.000 1.000 0.250 0.041 670.358 300.000 8.807 7