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_GB003.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB003.stat;h=0000000000000000000000000000000000000000;hp=62816133de951ae8c036307be4e9dc271b778ae8;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB003.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB003.stat deleted file mode 100644 index 6281613..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB003.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 30.203 63.862 94.065 0.00 1.000 0.000 0.308 1.972 274.015 300.000 7.001 3 - 10000 100.00 84.662 9.396 94.058 3.04 0.000 1.000 0.327 0.040 768.095 300.000 7.508 3 - 20000 200.00 70.716 23.343 94.058 5.35 0.143 0.600 0.164 0.056 641.568 300.000 9.811 3 - 30000 300.00 65.125 28.934 94.059 8.21 0.286 0.556 0.177 0.039 590.849 300.000 9.661 3 - 40000 400.00 68.340 25.719 94.059 7.36 0.214 0.625 0.193 0.051 620.019 300.000 9.918 3 - 50000 500.00 60.084 33.976 94.059 8.18 0.071 0.750 0.170 0.010 545.112 300.000 9.446 3 - 60000 600.00 55.971 38.031 94.002 7.38 0.071 0.750 0.193 0.031 507.800 300.000 8.614 3 - 70000 700.00 79.222 14.779 94.001 8.41 0.143 0.667 0.144 0.053 718.740 300.000 10.106 3 - 80000 800.00 67.116 26.886 94.003 6.73 0.000 1.000 0.239 0.025 608.915 300.000 10.024 3 - 90000 900.00 77.432 16.570 94.002 4.95 0.214 0.000 0.136 0.020 702.501 300.000 9.268 3 - 100000 1000.00 70.310 23.692 94.002 6.45 0.071 0.667 0.167 0.032 637.885 300.000 10.193 3 - 110000 1100.00 67.702 26.299 94.002 6.32 0.143 0.600 0.173 0.015 614.232 300.000 10.122 3 - 120000 1200.00 74.534 19.468 94.002 3.15 0.143 0.667 0.197 0.020 676.212 300.000 7.859 3 - 130000 1300.00 56.397 37.606 94.003 5.15 0.000 1.000 0.742 0.021 511.664 300.000 7.803 3 - 140000 1400.00 65.465 28.537 94.002 6.69 0.000 1.000 0.409 0.054 593.936 300.000 8.288 3 - 150000 1500.00 64.114 29.889 94.003 6.06 0.071 0.667 0.242 0.046 581.676 300.000 8.008 3 - 160000 1600.00 78.216 15.786 94.002 5.40 0.000 1.000 0.369 0.021 709.613 300.000 7.065 3 - 170000 1700.00 53.903 40.100 94.003 4.79 0.143 0.750 0.307 0.018 489.032 300.000 8.189 3 - 180000 1800.00 72.592 21.409 94.001 5.92 0.000 1.000 0.455 0.016 658.591 300.000 8.500 3 - 190000 1900.00 81.417 12.584 94.001 6.59 0.071 0.800 0.327 0.039 738.656 300.000 8.362 3 - 200000 2000.00 66.708 27.295 94.002 4.91 0.071 0.000 0.182 0.026 605.206 300.000 9.333 3 - 210000 2100.00 83.369 10.631 94.000 6.60 0.071 0.667 0.197 0.095 756.367 300.000 10.132 3 - 220000 2200.00 63.496 30.505 94.000 8.19 0.143 0.500 0.170 0.114 576.065 300.000 10.750 3 - 230000 2300.00 71.858 22.143 94.001 7.94 0.071 0.667 0.152 0.025 651.936 300.000 11.616 3 - 240000 2400.00 62.252 31.749 94.001 6.34 0.000 1.000 0.273 0.064 564.782 300.000 10.081 3 - 250000 2500.00 70.523 23.479 94.002 6.54 0.071 0.750 0.205 0.023 639.820 300.000 9.550 3 - 260000 2600.00 66.077 27.924 94.001 8.48 0.071 0.667 0.152 0.028 599.486 300.000 10.804 3 - 270000 2700.00 47.788 46.214 94.003 7.38 0.071 0.500 0.182 0.024 433.560 300.000 10.028 3 - 280000 2800.00 71.736 22.266 94.002 6.96 0.071 0.800 0.245 0.070 650.825 300.000 8.788 3 - 290000 2900.00 73.805 20.197 94.001 6.56 0.071 0.750 0.352 0.037 669.594 300.000 8.803 3 - 300000 3000.00 65.667 28.336 94.003 4.87 0.143 0.667 0.205 0.023 595.766 300.000 8.191 3 - 310000 3100.00 63.505 30.497 94.002 4.81 0.071 0.500 0.205 0.019 576.149 300.000 8.911 3 - 320000 3200.00 70.713 23.290 94.003 6.60 0.143 0.000 0.136 0.012 641.542 300.000 9.420 3 - 330000 3300.00 75.126 18.877 94.002 7.09 0.000 1.000 0.167 0.038 681.578 300.000 9.803 3 - 340000 3400.00 69.876 24.126 94.002 6.39 0.071 0.857 0.240 0.058 633.955 300.000 8.360 3 - 350000 3500.00 68.906 25.095 94.001 8.34 0.071 0.500 0.136 0.070 625.154 300.000 12.495 3 - 360000 3600.00 69.656 24.346 94.002 6.59 0.071 0.500 0.182 0.031 631.958 300.000 10.045 3 - 370000 3700.00 67.145 26.858 94.003 8.70 0.071 0.667 0.182 0.048 609.174 300.000 12.607 3 - 380000 3800.00 69.849 24.152 94.001 8.91 0.071 0.500 0.136 0.064 633.703 300.000 11.901 3 - 390000 3900.00 64.543 29.463 94.005 7.39 0.071 0.500 0.250 0.071 585.563 300.000 9.116 3 - 400000 4000.00 55.742 38.261 94.003 5.94 0.000 1.000 0.197 0.023 505.723 300.000 9.818 3 - 410000 4100.00 70.944 23.059 94.002 5.16 0.000 1.000 0.159 0.056 643.636 300.000 9.610 3 - 420000 4200.00 54.320 39.683 94.003 8.63 0.000 NaN NaN 0.016 492.822 300.000 12.577 3 - 430000 4300.00 60.810 33.193 94.002 10.85 0.000 NaN NaN 0.033 551.697 300.000 14.477 3 - 440000 4400.00 64.200 29.802 94.002 9.05 0.071 0.500 0.159 0.054 582.460 300.000 12.473 3 - 450000 4500.00 61.730 32.272 94.002 7.56 0.071 0.667 0.152 0.080 560.048 300.000 11.758 3 - 460000 4600.00 65.969 28.033 94.002 8.08 0.071 0.667 0.182 0.092 598.503 300.000 10.946 3 - 470000 4700.00 60.415 33.587 94.002 6.28 0.214 0.000 0.136 0.044 548.117 300.000 9.798 3 - 480000 4800.00 78.583 15.418 94.001 4.71 0.071 0.500 0.182 0.049 712.946 300.000 9.355 3 - 490000 4900.00 75.132 18.870 94.002 6.99 0.214 0.571 0.188 0.030 681.640 300.000 9.455 3 - 500000 5000.00 66.963 27.039 94.002 8.03 0.071 0.800 0.191 0.041 607.524 300.000 10.685 3 - 510000 5100.00 75.869 18.133 94.002 6.18 0.071 0.500 0.136 0.045 688.325 300.000 9.342 3 - 520000 5200.00 61.995 32.008 94.002 6.02 0.000 NaN NaN 0.039 562.447 300.000 10.703 3 - 530000 5300.00 66.128 27.875 94.003 7.32 0.071 0.667 0.197 0.029 599.944 300.000 10.799 3 - 540000 5400.00 66.232 27.771 94.003 6.81 0.000 1.000 0.250 0.050 600.889 300.000 10.619 3 - 550000 5500.00 77.534 16.468 94.002 6.30 0.071 0.750 0.148 0.034 703.432 300.000 9.998 3 - 560000 5600.00 86.607 7.395 94.002 4.01 0.286 0.500 0.250 0.022 785.741 300.000 8.323 3 - 570000 5700.00 73.023 20.979 94.002 4.06 0.214 0.500 0.189 0.030 662.505 300.000 8.099 3 - 580000 5800.00 71.035 22.967 94.002 5.65 0.071 0.750 0.170 0.027 644.470 300.000 8.782 3 - 590000 5900.00 59.135 34.867 94.002 9.00 0.071 0.750 0.159 0.032 536.507 300.000 11.546 3 - 600000 6000.00 62.256 31.746 94.002 8.76 0.071 0.500 0.136 0.063 564.819 300.000 12.029 3 - 610000 6100.00 63.397 30.605 94.002 6.68 0.071 0.750 0.250 0.038 575.172 300.000 9.445 3 - 620000 6200.00 62.195 31.807 94.002 7.15 0.071 0.667 0.152 0.041 564.266 300.000 10.402 3 - 630000 6300.00 55.728 38.275 94.004 6.87 0.071 0.000 0.136 0.010 505.597 300.000 9.790 3 - 640000 6400.00 77.322 16.681 94.002 6.32 0.143 0.333 0.152 0.052 701.501 300.000 9.824 3 - 650000 6500.00 63.401 30.600 94.001 7.09 0.071 0.667 0.167 0.054 575.210 300.000 11.670 3 - 660000 6600.00 77.328 16.673 94.002 8.42 0.000 1.000 0.182 0.026 701.564 300.000 12.607 3 - 670000 6700.00 56.767 37.237 94.003 7.45 0.071 0.750 0.170 0.035 515.016 300.000 10.366 3 - 680000 6800.00 62.871 31.131 94.002 4.90 0.071 0.667 0.364 0.057 570.400 300.000 8.961 3 - 690000 6900.00 67.853 26.149 94.002 4.18 0.071 0.667 0.227 0.018 615.600 300.000 8.748 3 - 700000 7000.00 67.430 26.573 94.002 8.31 0.071 0.667 0.167 0.038 611.755 300.000 12.275 3 - 710000 7100.00 74.724 19.293 94.017 9.26 0.000 1.000 0.182 0.029 677.933 300.000 13.237 3 - 720000 7200.00 58.019 36.000 94.019 6.81 0.071 0.667 0.136 0.030 526.376 300.000 10.988 3 - 730000 7300.00 58.303 35.715 94.018 4.98 0.000 1.000 0.318 0.021 528.959 300.000 8.473 3 - 740000 7400.00 66.788 27.230 94.018 5.80 0.000 1.000 0.250 0.049 605.935 300.000 8.917 3 - 750000 7500.00 59.414 34.604 94.018 6.40 0.000 1.000 0.218 0.048 539.038 300.000 7.957 3 - 760000 7600.00 62.009 32.007 94.017 6.39 0.071 0.500 0.182 0.039 562.578 300.000 9.603 3 - 770000 7700.00 59.867 34.150 94.017 6.49 0.071 0.500 0.159 0.048 543.142 300.000 9.795 3 - 780000 7800.00 73.013 21.004 94.017 6.83 0.071 0.833 0.182 0.022 662.409 300.000 8.543 3 - 790000 7900.00 71.865 22.152 94.016 7.73 0.071 0.500 0.136 0.039 651.995 300.000 10.095 3 - 800000 8000.00 66.522 27.496 94.018 8.32 0.071 0.500 0.136 0.061 603.526 300.000 12.129 3 - 810000 8100.00 65.012 29.006 94.018 5.64 0.143 0.333 0.152 0.028 589.824 300.000 10.050 3 - 820000 8200.00 63.606 30.411 94.017 4.35 0.000 1.000 0.182 0.047 577.069 300.000 9.224 3 - 830000 8300.00 50.576 43.443 94.019 4.25 0.000 1.000 0.318 0.023 458.852 300.000 9.138 3 - 840000 8400.00 66.972 27.046 94.018 5.54 0.143 0.600 0.182 0.030 607.605 300.000 10.361 3 - 850000 8500.00 69.299 24.718 94.018 9.46 0.000 1.000 0.182 0.021 628.718 300.000 12.836 3 - 860000 8600.00 77.645 16.372 94.017 8.50 0.071 0.500 0.136 0.022 704.440 300.000 12.129 3 - 870000 8700.00 76.946 17.070 94.016 6.39 0.000 1.000 0.284 0.039 698.097 300.000 8.933 3 - 880000 8800.00 72.511 21.507 94.017 5.06 0.071 0.800 0.436 0.047 657.853 300.000 7.601 3 - 890000 8900.00 78.453 15.564 94.017 6.70 0.071 0.800 0.291 0.021 711.769 300.000 8.215 3 - 900000 9000.00 68.471 25.545 94.016 6.31 0.071 0.750 0.227 0.018 621.203 300.000 10.258 3 - 910000 9100.00 60.903 33.115 94.018 7.79 0.000 NaN NaN 0.033 552.546 300.000 10.668 3 - 920000 9200.00 57.884 36.133 94.018 6.34 0.071 0.857 0.273 0.030 525.157 300.000 8.749 3 - 930000 9300.00 71.792 22.225 94.017 7.87 0.143 0.333 0.197 0.032 651.333 300.000 9.082 3 - 940000 9400.00 71.809 22.206 94.016 6.44 0.071 0.857 0.240 0.064 651.491 300.000 8.365 3 - 950000 9500.00 61.379 32.639 94.017 7.80 0.000 1.000 0.167 0.061 556.859 300.000 8.905 3 - 960000 9600.00 70.096 23.922 94.018 8.13 0.071 0.750 0.205 0.034 635.948 300.000 11.334 3 - 970000 9700.00 60.469 33.549 94.018 6.70 0.143 0.333 0.167 0.020 548.602 300.000 9.349 3 - 980000 9800.00 61.449 32.568 94.018 6.17 0.071 0.800 0.191 0.037 557.498 300.000 8.851 3 - 990000 9900.00 68.241 25.776 94.017 7.30 0.000 1.000 0.250 0.011 619.116 300.000 9.712 3 - 1000000 10000.00 54.817 39.201 94.018 8.40 0.071 0.000 0.136 0.020 497.331 300.000 10.473 3