X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB028.stat;fp=examples%2Funres%2Fnew%2FMREMD%2Fff_1l2y%2F1L2Y_MREMD_GB028.stat;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=9f1d4fd9ce7487c86c95b99d13fa63ffe3ddd6d6;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat deleted file mode 100644 index 9f1d4fd..0000000 --- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB028.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 34.525 114.373 148.898 12.87 0.000 NaN NaN 4.850 313.225 320.000 15.552 28 - 10000 2000.00 33.429 -8.301 25.128 6.65 0.000 1.000 0.432 0.846 303.289 320.000 8.784 28 - 20000 4000.00 28.727 -14.873 13.854 6.15 0.071 0.875 0.239 0.350 260.629 320.000 7.712 28 - 30000 6000.00 33.767 -17.489 16.278 3.67 0.214 0.667 0.273 0.472 306.349 320.000 7.209 28 - 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700000 140000.00 37.098 -11.801 25.296 5.82 0.071 0.889 0.263 1.113 336.570 320.000 7.493 28 - 710000 142000.00 33.687 -17.146 16.541 3.83 0.214 0.700 0.327 0.680 305.629 310.000 6.867 28 - 720000 144000.00 27.256 -6.064 21.192 3.47 0.143 0.778 0.268 0.730 247.280 310.000 6.986 28 - 730000 146000.00 32.329 -22.543 9.786 3.01 0.286 0.600 0.168 0.170 293.309 310.000 7.194 28 - 740000 148000.00 26.409 -13.525 12.884 6.56 0.286 0.692 0.234 0.208 239.596 310.000 6.689 28 - 750000 150000.00 28.193 -4.794 23.399 4.02 0.000 1.000 0.227 0.407 255.783 310.000 8.012 28 - 760000 152000.00 35.001 -17.455 17.547 6.78 0.286 0.636 0.207 0.441 317.551 310.000 7.715 28 - 770000 154000.00 31.838 -20.055 11.783 3.76 0.286 0.667 0.269 0.264 288.847 310.000 6.536 28 - 780000 156000.00 32.412 -14.516 17.896 3.63 0.214 0.625 0.216 0.971 294.060 310.000 7.229 28 - 790000 158000.00 31.539 -29.673 1.866 3.52 0.286 0.714 0.295 0.989 286.134 310.000 6.394 28 - 800000 160000.00 42.121 -21.785 20.336 2.66 0.357 0.545 0.198 0.896 382.144 310.000 7.282 28 - 810000 162000.00 32.320 -24.705 7.615 3.18 0.286 0.692 0.255 1.137 293.220 300.000 6.703 28 - 820000 164000.00 37.701 -28.171 9.530 3.99 0.500 0.500 0.351 0.573 342.047 300.000 6.161 28 - 830000 166000.00 30.709 -29.517 1.192 4.14 0.286 0.667 0.341 0.667 278.612 300.000 6.498 28 - 840000 168000.00 25.814 -25.402 0.412 3.33 0.286 0.733 0.327 0.589 234.194 300.000 6.677 28 - 850000 170000.00 30.990 -7.389 23.601 6.16 0.214 0.571 0.169 1.185 281.154 300.000 8.444 28 - 860000 172000.00 29.122 -33.081 -3.959 2.66 0.357 0.615 0.308 0.314 264.212 300.000 6.813 28 - 870000 174000.00 24.927 -33.591 -8.664 2.88 0.429 0.571 0.256 0.248 226.151 300.000 7.060 28 - 880000 176000.00 29.651 -26.846 2.804 3.21 0.214 0.667 0.172 0.255 269.006 300.000 7.245 28 - 890000 178000.00 33.027 -23.277 9.750 2.75 0.214 0.250 0.159 0.348 299.635 300.000 7.324 28 - 900000 180000.00 22.788 -12.577 10.210 3.66 0.214 0.727 0.190 0.383 206.741 300.000 7.699 28 - 910000 182000.00 32.741 -23.799 8.942 3.67 0.214 0.786 0.292 0.560 297.042 300.000 6.548 28 - 920000 184000.00 31.322 -18.391 12.931 4.16 0.143 0.750 0.205 0.527 284.173 300.000 7.061 28 - 930000 186000.00 33.426 -28.206 5.220 3.56 0.143 0.882 0.364 0.363 303.262 300.000 6.171 28 - 940000 188000.00 24.550 -28.788 -4.237 2.83 0.286 0.714 0.305 0.488 222.734 300.000 6.817 28 - 950000 190000.00 32.889 -23.254 9.635 2.71 0.357 0.500 0.291 0.305 298.387 300.000 6.591 28 - 960000 192000.00 35.353 -13.482 21.871 6.36 0.214 0.667 0.172 0.676 320.741 300.000 8.328 28 - 970000 194000.00 37.457 -23.921 13.536 2.49 0.357 0.583 0.261 0.759 339.830 300.000 7.740 28 - 980000 196000.00 27.634 -18.739 8.895 4.43 0.143 0.818 0.211 0.213 250.712 300.000 7.695 28 - 990000 198000.00 37.462 -31.986 5.476 2.82 0.357 0.500 0.177 0.430 339.874 300.000 7.234 28 - 1000000 200000.00 23.417 -32.696 -9.279 2.61 0.357 0.583 0.205 0.249 212.448 300.000 7.179 28