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_GB000.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB000.stat;h=0000000000000000000000000000000000000000;hp=316780a23e7be975cb58c950eec18451e7df5098;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB000.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB000.stat deleted file mode 100644 index 316780a..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB000.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 30.764 63.862 94.626 0.00 1.000 0.000 0.308 1.972 279.110 300.000 7.001 0 - 10000 100.00 67.547 27.073 94.620 3.66 0.143 0.667 0.242 0.022 612.824 300.000 8.356 0 - 20000 200.00 65.610 29.012 94.622 4.27 0.214 0.250 0.136 0.035 595.244 300.000 8.861 0 - 30000 300.00 60.495 34.127 94.622 4.44 0.071 0.857 0.240 0.023 548.841 300.000 7.804 0 - 40000 400.00 72.000 22.619 94.618 5.21 0.143 0.500 0.216 0.037 653.217 300.000 7.604 0 - 50000 500.00 47.004 48.938 95.941 4.16 0.000 1.000 0.409 0.022 426.443 300.000 8.121 0 - 60000 600.00 57.359 38.583 95.942 6.77 0.000 1.000 0.182 0.046 520.388 300.000 9.913 0 - 70000 700.00 75.046 20.895 95.941 7.40 0.143 0.714 0.208 0.043 680.853 300.000 9.009 0 - 80000 800.00 79.780 16.161 95.941 6.71 0.214 0.625 0.176 0.017 723.803 300.000 9.044 0 - 90000 900.00 57.265 38.676 95.942 7.33 0.000 1.000 0.197 0.057 519.540 300.000 10.220 0 - 100000 1000.00 68.473 27.467 95.940 7.24 0.143 0.500 0.193 0.098 621.227 300.000 9.345 0 - 110000 1100.00 52.219 43.723 95.942 7.50 0.071 0.750 0.273 0.029 473.753 300.000 9.883 0 - 120000 1200.00 76.623 19.318 95.941 8.05 0.071 0.800 0.227 0.056 695.162 300.000 10.659 0 - 130000 1300.00 64.789 31.153 95.942 9.05 0.000 NaN NaN 0.023 587.796 300.000 13.081 0 - 140000 1400.00 67.938 28.004 95.942 7.17 0.143 0.500 0.148 0.030 616.369 300.000 11.028 0 - 150000 1500.00 74.491 21.450 95.942 6.77 0.000 1.000 0.193 0.039 675.823 300.000 9.147 0 - 160000 1600.00 71.322 24.619 95.941 6.56 0.071 0.000 0.136 0.021 647.072 300.000 10.781 0 - 170000 1700.00 63.652 32.290 95.942 7.71 0.143 0.333 0.136 0.035 577.485 300.000 11.406 0 - 180000 1800.00 68.410 27.532 95.941 8.46 0.071 0.000 0.227 0.071 620.650 300.000 11.207 0 - 190000 1900.00 69.244 26.698 95.942 9.77 0.000 1.000 0.197 0.039 628.215 300.000 11.993 0 - 200000 2000.00 64.645 31.297 95.942 8.82 0.071 0.667 0.182 0.040 586.489 300.000 11.114 0 - 210000 2100.00 75.004 20.938 95.942 6.19 0.214 0.400 0.245 0.030 680.473 300.000 7.919 0 - 220000 2200.00 65.763 30.179 95.941 6.06 0.000 1.000 0.300 0.021 596.633 300.000 8.784 0 - 230000 2300.00 60.281 35.661 95.942 5.55 0.143 0.333 0.182 0.016 546.899 300.000 9.308 0 - 240000 2400.00 66.450 29.492 95.942 4.69 0.000 NaN NaN 0.047 602.866 300.000 8.321 0 - 250000 2500.00 70.304 25.637 95.941 5.28 0.071 0.000 0.136 0.026 637.837 300.000 8.929 0 - 260000 2600.00 73.006 22.936 95.942 4.76 0.071 0.875 0.233 0.084 662.347 300.000 8.490 0 - 270000 2700.00 65.570 30.372 95.941 5.86 0.143 0.500 0.136 0.034 594.883 300.000 9.426 0 - 280000 2800.00 66.825 29.116 95.941 5.28 0.071 0.800 0.227 0.059 606.272 300.000 7.356 0 - 290000 2900.00 71.196 24.746 95.942 6.55 0.071 0.667 0.136 0.021 645.924 300.000 8.902 0 - 300000 3000.00 65.255 30.687 95.941 6.32 0.143 0.714 0.195 0.015 592.023 300.000 8.423 0 - 310000 3100.00 74.353 21.588 95.941 7.14 0.000 1.000 0.136 0.058 674.567 300.000 9.007 0 - 320000 3200.00 62.963 32.978 95.941 6.49 0.000 1.000 0.197 0.027 571.233 300.000 9.247 0 - 330000 3300.00 74.423 21.518 95.940 6.06 0.000 1.000 0.273 0.037 675.200 300.000 8.690 0 - 340000 3400.00 80.944 14.998 95.942 4.85 0.143 0.714 0.260 0.034 734.363 300.000 7.586 0 - 350000 3500.00 69.476 26.465 95.941 3.94 0.071 0.800 0.291 0.047 630.320 300.000 8.555 0 - 360000 3600.00 60.565 35.377 95.942 3.90 0.071 0.667 0.152 0.027 549.481 300.000 8.769 0 - 370000 3700.00 77.272 18.668 95.940 4.04 0.071 0.800 0.309 0.036 701.054 300.000 8.557 0 - 380000 3800.00 73.137 22.805 95.942 4.47 0.143 0.667 0.288 0.043 663.534 300.000 8.938 0 - 390000 3900.00 71.877 24.064 95.942 3.39 0.214 0.400 0.191 0.049 652.109 300.000 7.757 0 - 400000 4000.00 73.772 22.169 95.942 4.42 0.071 0.500 0.182 0.022 669.299 300.000 8.116 0 - 410000 4100.00 82.015 13.926 95.941 3.92 0.071 0.875 0.256 0.023 744.081 300.000 7.725 0 - 420000 4200.00 73.182 22.760 95.941 5.06 0.000 1.000 0.282 0.011 663.941 300.000 8.614 0 - 430000 4300.00 67.644 28.298 95.942 5.13 0.214 0.667 0.212 0.026 613.699 300.000 8.180 0 - 440000 4400.00 56.041 39.901 95.942 6.89 0.000 1.000 0.432 0.010 508.433 300.000 10.332 0 - 450000 4500.00 65.097 30.844 95.941 5.10 0.071 0.833 0.318 0.053 590.592 300.000 8.719 0 - 460000 4600.00 69.089 26.853 95.942 4.81 0.143 0.500 0.193 0.018 626.813 300.000 8.945 0 - 470000 4700.00 61.508 34.433 95.941 5.26 0.000 1.000 0.464 0.042 558.032 300.000 8.854 0 - 480000 4800.00 63.408 32.534 95.942 5.27 0.071 0.750 0.216 0.018 575.270 300.000 9.060 0 - 490000 4900.00 77.208 18.734 95.942 8.20 0.286 0.200 0.136 0.017 700.474 300.000 11.012 0 - 500000 5000.00 58.785 37.156 95.942 8.80 0.071 0.667 0.136 0.025 533.330 300.000 11.435 0 - 510000 5100.00 74.819 21.122 95.941 5.63 0.143 0.333 0.167 0.024 678.800 300.000 10.066 0 - 520000 5200.00 64.979 30.962 95.941 4.02 0.143 0.667 0.227 0.042 589.525 300.000 7.701 0 - 530000 5300.00 74.142 21.799 95.942 5.32 0.071 0.833 0.227 0.033 672.659 300.000 7.384 0 - 540000 5400.00 74.074 21.868 95.942 4.36 0.000 1.000 0.500 0.030 672.039 300.000 7.045 0 - 550000 5500.00 60.156 35.785 95.941 5.40 0.000 1.000 0.159 0.020 545.768 300.000 9.694 0 - 560000 5600.00 59.677 36.265 95.942 5.63 0.143 0.600 0.191 0.016 541.418 300.000 9.588 0 - 570000 5700.00 67.898 28.042 95.941 6.16 0.000 1.000 0.379 0.024 616.010 300.000 8.782 0 - 580000 5800.00 71.089 24.851 95.941 5.91 0.000 1.000 0.307 0.047 644.960 300.000 8.177 0 - 590000 5900.00 76.287 19.654 95.942 6.08 0.000 1.000 0.136 0.017 692.117 300.000 9.103 0 - 600000 6000.00 64.303 31.638 95.941 5.52 0.000 1.000 0.136 0.017 583.389 300.000 8.560 0 - 610000 6100.00 56.444 39.497 95.942 5.51 0.143 0.500 0.159 0.054 512.093 300.000 9.921 0 - 620000 6200.00 75.090 20.851 95.941 8.79 0.071 0.833 0.182 0.024 681.259 300.000 11.133 0 - 630000 6300.00 73.123 22.818 95.941 9.72 0.143 0.000 0.136 0.038 663.411 300.000 11.946 0 - 640000 6400.00 74.398 21.544 95.941 7.54 0.143 0.500 0.159 0.035 674.976 300.000 10.516 0 - 650000 6500.00 71.605 24.336 95.941 4.77 0.071 0.857 0.273 0.079 649.639 300.000 7.767 0 - 660000 6600.00 72.347 23.594 95.941 3.79 0.071 0.750 0.227 0.060 656.371 300.000 8.761 0 - 670000 6700.00 70.678 25.262 95.940 4.77 0.143 0.333 0.136 0.061 641.230 300.000 8.497 0 - 680000 6800.00 64.484 31.458 95.942 7.43 0.000 1.000 0.227 0.020 585.034 300.000 9.380 0 - 690000 6900.00 68.482 27.459 95.941 7.57 0.000 1.000 0.333 0.056 621.307 300.000 8.432 0 - 700000 7000.00 69.868 26.073 95.941 6.59 0.143 0.600 0.300 0.064 633.879 300.000 8.052 0 - 710000 7100.00 75.480 20.460 95.940 6.23 0.071 0.667 0.197 0.031 684.796 300.000 9.745 0 - 720000 7200.00 72.425 23.517 95.942 6.73 0.143 0.667 0.326 0.027 657.077 300.000 8.414 0 - 730000 7300.00 72.363 23.578 95.941 6.95 0.143 0.333 0.182 0.022 656.513 300.000 9.751 0 - 740000 7400.00 74.996 20.945 95.941 7.19 0.000 1.000 0.182 0.039 680.405 300.000 11.283 0 - 750000 7500.00 55.178 40.764 95.942 8.79 0.000 1.000 0.227 0.046 500.602 300.000 12.783 0 - 760000 7600.00 76.950 18.991 95.941 7.25 0.143 0.500 0.182 0.022 698.130 300.000 10.298 0 - 770000 7700.00 61.580 34.361 95.941 6.92 0.000 1.000 0.212 0.024 558.688 300.000 9.745 0 - 780000 7800.00 75.891 20.050 95.941 6.32 0.143 0.600 0.182 0.031 688.521 300.000 9.842 0 - 790000 7900.00 73.004 22.937 95.941 5.63 0.071 0.667 0.197 0.030 662.333 300.000 9.770 0 - 800000 8000.00 76.672 19.268 95.940 5.76 0.143 0.500 0.170 0.051 695.610 300.000 8.355 0 - 810000 8100.00 66.137 29.805 95.942 6.00 0.071 0.800 0.209 0.025 600.027 300.000 8.995 0 - 820000 8200.00 63.782 32.160 95.942 7.38 0.071 0.667 0.136 0.013 578.661 300.000 9.185 0 - 830000 8300.00 69.709 26.232 95.942 7.43 0.071 0.667 0.182 0.044 632.439 300.000 8.704 0 - 840000 8400.00 74.738 21.203 95.941 8.15 0.071 0.500 0.136 0.024 678.057 300.000 11.311 0 - 850000 8500.00 70.977 24.965 95.941 8.91 0.071 0.750 0.216 0.036 643.937 300.000 10.762 0 - 860000 8600.00 70.401 25.540 95.941 6.93 0.000 1.000 0.182 0.030 638.715 300.000 10.115 0 - 870000 8700.00 65.430 30.511 95.941 6.41 0.214 0.500 0.174 0.032 593.616 300.000 9.005 0 - 880000 8800.00 63.999 31.942 95.942 7.62 0.000 NaN NaN 0.042 580.636 300.000 11.465 0 - 890000 8900.00 58.117 37.824 95.942 9.86 0.000 1.000 0.136 0.037 527.272 300.000 13.608 0 - 900000 9000.00 60.036 35.905 95.941 9.60 0.000 NaN NaN 0.040 544.680 300.000 13.360 0 - 910000 9100.00 61.523 34.417 95.941 8.11 0.000 NaN NaN 0.049 558.170 300.000 12.162 0 - 920000 9200.00 62.857 33.086 95.943 6.26 0.071 0.667 0.258 0.027 570.269 300.000 9.815 0 - 930000 9300.00 55.509 40.433 95.942 5.48 0.143 0.600 0.191 0.048 503.605 300.000 9.031 0 - 940000 9400.00 58.204 37.737 95.940 6.00 0.143 0.500 0.170 0.055 528.053 300.000 9.541 0 - 950000 9500.00 69.489 26.451 95.940 6.15 0.000 1.000 0.159 0.061 630.442 300.000 10.608 0 - 960000 9600.00 74.458 21.483 95.941 7.47 0.000 NaN NaN 0.045 675.523 300.000 11.136 0 - 970000 9700.00 68.813 27.129 95.942 8.52 0.000 1.000 0.227 0.023 624.304 300.000 11.965 0 - 980000 9800.00 63.724 32.218 95.942 8.16 0.000 NaN NaN 0.046 578.138 300.000 10.802 0 - 990000 9900.00 83.199 12.741 95.940 8.23 0.143 0.500 0.159 0.068 754.821 300.000 10.495 0 - 1000000 10000.00 74.618 21.322 95.940 6.44 0.357 0.286 0.169 0.099 676.974 300.000 9.954 0