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_GB006.stat;fp=examples%2Funres%2Fnew%2Fmicrocanonical%2FRESPA%2Fff_1l2y%2F1L2Y_micro_GB006.stat;h=0000000000000000000000000000000000000000;hp=42ef2aab303e3cae937d15552605f6e4c3672465;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB006.stat b/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB006.stat deleted file mode 100644 index 42ef2aa..0000000 --- a/examples/unres/new/microcanonical/RESPA/ff_1l2y/1L2Y_micro_GB006.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 35.031 63.862 98.893 0.00 1.000 0.000 0.308 1.972 317.817 300.000 7.001 6 - 10000 100.00 76.316 22.569 98.885 4.61 0.000 1.000 0.420 0.056 692.381 300.000 8.160 6 - 20000 200.00 81.631 17.255 98.885 5.74 0.143 0.750 0.227 0.089 740.596 300.000 8.148 6 - 30000 300.00 71.806 27.079 98.885 3.40 0.214 0.571 0.221 0.045 651.457 300.000 8.333 6 - 40000 400.00 69.984 28.903 98.887 4.50 0.143 0.333 0.136 0.038 634.928 300.000 9.187 6 - 50000 500.00 68.858 30.029 98.886 4.22 0.071 0.500 0.159 0.077 624.712 300.000 8.427 6 - 60000 600.00 71.997 26.890 98.888 4.64 0.143 0.778 0.338 0.023 653.195 300.000 8.843 6 - 70000 700.00 74.908 23.978 98.886 4.66 0.000 1.000 0.182 0.022 679.604 300.000 9.012 6 - 80000 800.00 66.587 32.299 98.887 6.10 0.000 1.000 0.170 0.015 604.115 300.000 10.032 6 - 90000 900.00 63.288 35.599 98.887 8.93 0.071 0.750 0.239 0.043 574.182 300.000 10.520 6 - 100000 1000.00 71.425 27.462 98.887 7.48 0.071 0.750 0.193 0.052 648.008 300.000 11.204 6 - 110000 1100.00 71.156 27.731 98.887 5.39 0.071 0.833 0.212 0.056 645.566 300.000 7.922 6 - 120000 1200.00 60.392 38.496 98.888 7.47 0.071 0.500 0.205 0.028 547.907 300.000 10.328 6 - 130000 1300.00 57.846 41.040 98.887 9.28 0.143 0.333 0.136 0.030 524.812 300.000 12.269 6 - 140000 1400.00 75.927 22.960 98.887 8.89 0.071 0.500 0.205 0.042 688.851 300.000 11.649 6 - 150000 1500.00 83.901 14.985 98.887 7.36 0.143 0.714 0.162 0.023 761.195 300.000 8.869 6 - 160000 1600.00 73.877 25.009 98.886 5.82 0.000 1.000 0.159 0.012 670.253 300.000 8.311 6 - 170000 1700.00 68.042 30.845 98.887 4.52 0.143 0.333 0.167 0.025 617.310 300.000 7.561 6 - 180000 1800.00 65.726 33.160 98.886 7.05 0.000 1.000 0.136 0.059 596.305 300.000 10.954 6 - 190000 1900.00 64.199 34.688 98.887 9.49 0.000 1.000 0.136 0.049 582.443 300.000 12.548 6 - 200000 2000.00 74.221 24.665 98.886 9.31 0.000 1.000 0.170 0.058 673.373 300.000 12.797 6 - 210000 2100.00 70.149 28.738 98.886 7.46 0.071 0.500 0.159 0.041 636.427 300.000 10.948 6 - 220000 2200.00 66.370 32.517 98.887 6.10 0.071 0.500 0.136 0.020 602.139 300.000 9.770 6 - 230000 2300.00 66.833 32.054 98.887 6.15 0.071 0.500 0.614 0.021 606.348 300.000 9.768 6 - 240000 2400.00 75.498 23.389 98.887 5.19 0.214 0.500 0.182 0.013 684.958 300.000 7.958 6 - 250000 2500.00 80.730 18.157 98.887 4.56 0.071 0.667 0.606 0.025 732.420 300.000 8.393 6 - 260000 2600.00 85.201 13.685 98.886 6.18 0.143 0.667 0.205 0.026 772.991 300.000 8.287 6 - 270000 2700.00 69.195 29.692 98.887 5.96 0.000 1.000 0.197 0.033 627.777 300.000 9.004 6 - 280000 2800.00 83.008 15.879 98.887 4.60 0.214 0.667 0.227 0.024 753.087 300.000 8.473 6 - 290000 2900.00 57.523 41.364 98.887 5.71 0.000 1.000 0.167 0.024 521.879 300.000 9.760 6 - 300000 3000.00 69.145 29.742 98.887 6.09 0.071 0.000 0.136 0.016 627.319 300.000 9.951 6 - 310000 3100.00 72.415 26.472 98.887 6.42 0.071 0.000 0.182 0.045 656.987 300.000 10.473 6 - 320000 3200.00 60.836 38.051 98.887 7.01 0.071 0.857 0.286 0.030 551.932 300.000 9.688 6 - 330000 3300.00 66.601 32.286 98.887 5.63 0.071 0.500 0.136 0.022 604.240 300.000 9.442 6 - 340000 3400.00 61.128 37.759 98.887 5.28 0.071 0.500 0.364 0.028 554.581 300.000 9.182 6 - 350000 3500.00 60.581 38.306 98.887 4.82 0.143 0.333 0.136 0.014 549.623 300.000 10.017 6 - 360000 3600.00 80.850 18.037 98.887 6.10 0.000 1.000 0.355 0.024 733.510 300.000 8.895 6 - 370000 3700.00 57.707 41.180 98.887 5.43 0.071 0.667 0.227 0.029 523.548 300.000 9.748 6 - 380000 3800.00 80.649 18.237 98.886 4.47 0.214 0.571 0.169 0.039 731.691 300.000 7.567 6 - 390000 3900.00 70.579 28.307 98.886 4.33 0.143 0.667 0.174 0.072 640.331 300.000 8.286 6 - 400000 4000.00 57.794 41.093 98.888 5.78 0.071 0.667 0.167 0.015 524.342 300.000 9.837 6 - 410000 4100.00 66.942 31.945 98.886 7.44 0.143 0.000 0.182 0.024 607.329 300.000 11.216 6 - 420000 4200.00 74.273 24.615 98.888 7.25 0.000 1.000 0.182 0.055 673.842 300.000 10.089 6 - 430000 4300.00 73.713 25.174 98.887 6.79 0.000 1.000 0.205 0.041 668.764 300.000 8.762 6 - 440000 4400.00 66.619 32.267 98.887 7.41 0.143 0.667 0.197 0.016 604.405 300.000 9.247 6 - 450000 4500.00 60.881 38.004 98.886 7.80 0.143 0.333 0.182 0.059 552.348 300.000 10.411 6 - 460000 4600.00 75.785 23.101 98.886 7.02 0.071 0.500 0.136 0.054 687.564 300.000 9.429 6 - 470000 4700.00 66.977 31.909 98.887 6.80 0.071 0.800 0.227 0.026 607.652 300.000 8.999 6 - 480000 4800.00 63.911 34.974 98.886 5.30 0.214 0.400 0.200 0.026 579.837 300.000 8.661 6 - 490000 4900.00 84.393 14.493 98.886 7.65 0.000 1.000 0.182 0.025 765.659 300.000 9.029 6 - 500000 5000.00 70.764 28.123 98.887 8.32 0.143 0.500 0.159 0.036 642.008 300.000 9.789 6 - 510000 5100.00 63.189 35.699 98.887 5.72 0.000 1.000 0.318 0.028 573.280 300.000 7.579 6 - 520000 5200.00 71.536 27.351 98.887 5.82 0.000 1.000 0.167 0.020 649.008 300.000 9.030 6 - 530000 5300.00 54.302 44.585 98.888 6.87 0.000 1.000 0.136 0.046 492.658 300.000 11.086 6 - 540000 5400.00 63.551 35.336 98.887 8.35 0.000 1.000 0.182 0.030 576.570 300.000 11.804 6 - 550000 5500.00 67.570 31.317 98.887 8.74 0.000 1.000 0.182 0.040 613.030 300.000 12.377 6 - 560000 5600.00 64.958 33.929 98.886 8.19 0.000 NaN NaN 0.023 589.328 300.000 11.651 6 - 570000 5700.00 63.214 35.673 98.887 7.13 0.000 1.000 0.227 0.025 573.507 300.000 8.601 6 - 580000 5800.00 74.560 24.327 98.887 5.20 0.143 0.714 0.253 0.021 676.451 300.000 6.921 6 - 590000 5900.00 65.284 33.604 98.888 7.38 0.000 1.000 0.318 0.022 592.290 300.000 10.729 6 - 600000 6000.00 69.874 29.013 98.887 7.57 0.000 1.000 0.182 0.032 633.934 300.000 10.906 6 - 610000 6100.00 67.678 31.209 98.887 5.33 0.143 0.750 0.250 0.028 614.010 300.000 8.902 6 - 620000 6200.00 65.530 33.356 98.886 6.62 0.000 NaN NaN 0.085 594.521 300.000 11.051 6 - 630000 6300.00 80.178 18.709 98.887 6.85 0.071 0.889 0.278 0.039 727.417 300.000 7.728 6 - 640000 6400.00 76.105 22.781 98.886 6.25 0.071 0.800 0.236 0.044 690.463 300.000 7.981 6 - 650000 6500.00 74.736 24.150 98.886 7.58 0.071 0.667 0.197 0.039 678.044 300.000 8.578 6 - 660000 6600.00 67.898 30.989 98.888 6.80 0.000 1.000 0.545 0.010 616.008 300.000 9.070 6 - 670000 6700.00 63.761 35.127 98.888 4.43 0.071 0.500 0.159 0.035 578.470 300.000 8.215 6 - 680000 6800.00 73.878 25.009 98.887 6.61 0.143 0.333 0.212 0.047 670.262 300.000 10.019 6 - 690000 6900.00 71.977 26.910 98.887 9.38 0.000 1.000 0.182 0.040 653.009 300.000 13.384 6 - 700000 7000.00 55.201 43.686 98.888 11.46 0.071 0.000 0.136 0.052 500.814 300.000 15.159 6 - 710000 7100.00 63.511 35.375 98.886 12.54 0.000 1.000 0.182 0.031 576.207 300.000 15.525 6 - 720000 7200.00 75.273 23.615 98.887 6.09 0.071 0.667 0.152 0.052 682.911 300.000 9.467 6 - 730000 7300.00 74.651 24.235 98.886 4.49 0.071 0.667 0.258 0.058 677.275 300.000 8.767 6 - 740000 7400.00 76.187 22.700 98.887 4.74 0.143 0.333 0.333 0.044 691.208 300.000 8.281 6 - 750000 7500.00 64.720 34.167 98.887 4.50 0.214 0.571 0.442 0.030 587.170 300.000 8.659 6 - 760000 7600.00 73.745 25.141 98.886 5.44 0.143 0.333 0.167 0.036 669.052 300.000 8.889 6 - 770000 7700.00 72.288 26.600 98.888 6.95 0.214 0.667 0.212 0.026 655.837 300.000 9.462 6 - 780000 7800.00 62.334 36.553 98.887 9.94 0.000 1.000 0.182 0.046 565.523 300.000 12.549 6 - 790000 7900.00 61.600 37.287 98.888 8.25 0.071 0.667 0.152 0.028 558.869 300.000 12.007 6 - 800000 8000.00 64.564 34.323 98.887 6.51 0.143 0.500 0.159 0.036 585.758 300.000 10.045 6 - 810000 8100.00 66.492 32.395 98.887 8.29 0.000 NaN NaN 0.043 603.247 300.000 12.943 6 - 820000 8200.00 61.743 37.143 98.887 9.16 0.000 1.000 0.136 0.067 560.169 300.000 13.332 6 - 830000 8300.00 68.751 30.135 98.885 6.76 0.143 0.333 0.152 0.040 623.741 300.000 10.911 6 - 840000 8400.00 59.682 39.205 98.887 4.10 0.000 1.000 0.182 0.019 541.467 300.000 8.494 6 - 850000 8500.00 74.675 24.212 98.887 4.90 0.143 0.600 0.300 0.081 677.491 300.000 7.135 6 - 860000 8600.00 79.612 19.274 98.886 5.41 0.143 0.333 0.167 0.031 722.282 300.000 10.401 6 - 870000 8700.00 66.515 32.373 98.887 9.04 0.000 1.000 0.182 0.028 603.457 300.000 11.248 6 - 880000 8800.00 63.855 35.033 98.888 6.45 0.000 1.000 0.167 0.033 579.325 300.000 10.494 6 - 890000 8900.00 62.506 36.382 98.887 5.86 0.000 1.000 0.364 0.032 567.082 300.000 8.269 6 - 900000 9000.00 79.609 19.276 98.885 5.23 0.071 0.800 0.300 0.097 722.253 300.000 7.344 6 - 910000 9100.00 75.745 23.141 98.887 8.39 0.143 0.333 0.152 0.050 687.199 300.000 12.027 6 - 920000 9200.00 57.054 41.834 98.888 9.64 0.000 1.000 0.273 0.017 517.622 300.000 12.720 6 - 930000 9300.00 65.563 33.325 98.887 9.63 0.000 1.000 0.159 0.065 594.818 300.000 12.425 6 - 940000 9400.00 71.784 27.103 98.887 9.87 0.000 1.000 0.136 0.030 651.263 300.000 12.964 6 - 950000 9500.00 74.633 24.254 98.887 7.96 0.143 0.667 0.167 0.019 677.111 300.000 10.909 6 - 960000 9600.00 72.604 26.283 98.887 7.68 0.071 0.833 0.167 0.047 658.701 300.000 9.630 6 - 970000 9700.00 73.362 25.525 98.888 6.47 0.071 0.833 0.174 0.030 665.582 300.000 9.597 6 - 980000 9800.00 75.426 23.461 98.887 4.23 0.071 0.900 0.218 0.026 684.304 300.000 8.236 6 - 990000 9900.00 64.826 34.062 98.888 5.63 0.071 0.857 0.253 0.036 588.137 300.000 8.992 6 - 1000000 10000.00 68.957 29.931 98.888 5.62 0.000 1.000 0.245 0.011 625.616 300.000 8.545 6