X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_gab%2F1L2Y_MREMD_GB025.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_gab%2F1L2Y_MREMD_GB025.stat;h=0000000000000000000000000000000000000000;hp=a23ca39978a9483625de92ccc6eca4a4b7a50b31;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30 diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat deleted file mode 100644 index a23ca39..0000000 --- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB025.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 35.371 24.554 59.926 12.87 0.000 NaN NaN 0.711 320.906 370.000 15.552 25 - 10000 2000.00 33.799 -11.430 22.369 8.73 0.143 0.333 0.167 0.745 306.640 370.000 11.362 25 - 20000 4000.00 47.269 3.660 50.929 8.78 0.000 1.000 0.136 1.510 428.848 370.000 12.528 25 - 30000 6000.00 34.759 -4.248 30.511 6.78 0.143 0.500 0.239 0.965 315.350 370.000 8.441 25 - 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480000 96000.00 34.107 -6.124 27.983 9.49 0.143 0.500 0.136 2.559 309.440 350.000 12.016 25 - 490000 98000.00 42.700 -0.822 41.879 4.63 0.143 0.667 0.273 2.341 387.399 350.000 8.573 25 - 500000 100000.00 27.864 -1.576 26.287 9.22 0.071 0.500 0.227 1.541 252.794 350.000 11.812 25 - 510000 102000.00 30.806 -5.815 24.991 12.11 0.071 0.500 0.182 1.641 279.485 340.000 15.123 25 - 520000 104000.00 35.010 -5.880 29.129 8.15 0.071 0.500 0.182 1.463 317.626 340.000 10.285 25 - 530000 106000.00 34.054 -14.829 19.225 4.33 0.143 0.750 0.472 2.192 308.952 340.000 7.397 25 - 540000 108000.00 32.667 -10.915 21.752 3.97 0.214 0.400 0.436 3.373 296.371 340.000 7.660 25 - 550000 110000.00 29.630 -7.417 22.213 4.60 0.071 0.857 0.214 1.657 268.820 340.000 7.241 25 - 560000 112000.00 28.461 -14.168 14.293 6.11 0.214 0.750 0.470 1.380 258.210 340.000 7.170 25 - 570000 114000.00 35.689 -14.070 21.619 8.66 0.000 NaN NaN 0.813 323.785 340.000 13.124 25 - 580000 116000.00 34.394 -12.027 22.367 7.81 0.143 0.600 0.209 2.121 312.039 340.000 9.726 25 - 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700000 140000.00 26.302 3.752 30.054 6.57 0.000 1.000 0.227 2.466 238.623 340.000 10.919 25 - 710000 142000.00 37.294 -15.043 22.251 5.85 0.214 0.667 0.525 2.045 338.347 400.000 7.382 25 - 720000 144000.00 33.630 12.938 46.568 5.65 0.000 NaN NaN 2.382 305.108 400.000 9.165 25 - 730000 146000.00 39.222 0.086 39.309 8.11 0.071 0.000 0.136 3.806 355.844 400.000 12.127 25 - 740000 148000.00 34.774 13.233 48.007 8.56 0.000 1.000 0.136 1.699 315.486 400.000 11.177 25 - 750000 150000.00 34.836 9.195 44.031 6.49 0.000 NaN NaN 2.821 316.052 400.000 11.485 25 - 760000 152000.00 29.586 6.085 35.671 9.71 0.000 NaN NaN 2.299 268.416 400.000 13.734 25 - 770000 154000.00 37.507 -2.641 34.866 8.29 0.000 NaN NaN 2.894 340.286 400.000 11.487 25 - 780000 156000.00 33.349 -4.857 28.492 5.36 0.000 1.000 0.591 0.953 302.557 400.000 8.765 25 - 790000 158000.00 36.647 9.686 46.333 5.60 0.071 0.000 0.136 3.328 332.477 400.000 10.585 25 - 800000 160000.00 37.949 -2.551 35.398 7.49 0.000 NaN NaN 1.546 344.290 400.000 11.889 25 - 810000 162000.00 34.350 -5.639 28.711 8.49 0.000 1.000 0.205 3.768 311.642 380.000 11.212 25 - 820000 164000.00 24.089 -8.888 15.201 8.08 0.000 1.000 0.341 0.993 218.544 380.000 9.255 25 - 830000 166000.00 31.072 -16.393 14.678 5.92 0.071 0.800 0.427 1.704 281.897 380.000 8.342 25 - 840000 168000.00 49.427 3.430 52.857 7.65 0.071 0.000 0.136 2.128 448.429 380.000 11.780 25 - 850000 170000.00 33.764 -1.292 32.472 5.70 0.000 1.000 0.482 1.355 306.322 380.000 9.667 25 - 860000 172000.00 42.433 15.439 57.872 7.27 0.000 1.000 0.136 2.510 384.976 380.000 11.382 25 - 870000 174000.00 28.321 2.450 30.772 6.62 0.071 0.000 0.136 2.159 256.944 380.000 10.724 25 - 880000 176000.00 32.025 6.670 38.695 6.89 0.000 NaN NaN 1.426 290.549 380.000 10.314 25 - 890000 178000.00 42.226 0.015 42.241 6.98 0.000 NaN NaN 1.718 383.099 380.000 11.994 25 - 900000 180000.00 36.348 -2.966 33.382 10.17 0.143 0.000 0.159 3.100 329.770 380.000 13.130 25 - 910000 182000.00 30.341 11.302 41.643 8.03 0.000 NaN NaN 2.689 275.273 370.000 11.816 25 - 920000 184000.00 37.064 4.806 41.870 10.48 0.000 NaN NaN 3.448 336.260 370.000 14.598 25 - 930000 186000.00 34.357 5.727 40.083 9.15 0.000 NaN NaN 1.875 311.703 370.000 13.485 25 - 940000 188000.00 36.780 -7.832 28.948 10.90 0.143 0.000 0.159 2.159 333.685 370.000 14.302 25 - 950000 190000.00 30.280 -19.398 10.882 5.87 0.143 0.750 0.420 1.927 274.720 370.000 6.800 25 - 960000 192000.00 30.276 -10.781 19.495 6.45 0.071 0.800 0.264 0.874 274.681 370.000 8.296 25 - 970000 194000.00 35.889 -9.885 26.004 4.97 0.214 0.500 0.379 2.841 325.606 370.000 8.202 25 - 980000 196000.00 41.136 -1.133 40.003 4.01 0.143 0.500 0.352 1.213 373.211 370.000 7.757 25 - 990000 198000.00 33.380 -4.710 28.670 6.76 0.000 1.000 0.311 2.044 302.841 370.000 8.776 25 - 1000000 200000.00 39.236 1.015 40.251 6.16 0.071 0.750 0.239 1.187 355.974 370.000 8.723 25