X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB015.stat;fp=examples%2Funres%2Fnew%2FREMD%2Fwith_constrains%2FBerendsen%2Fff_gab%2F1L2Y_REMD_GB015.stat;h=0000000000000000000000000000000000000000;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=fc9c75e1a20ca03036f8918a51b58152c5edae8d;hpb=c89d7d207940ebb57e0042cb35ab65d0f8a4b55e;p=unres.git diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat deleted file mode 100644 index fc9c75e..0000000 --- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB015.stat +++ /dev/null @@ -1,101 +0,0 @@ - 0 0.00 43.954 672.425 716.378 0.00 1.000 0.000 0.308 8.653 398.770 400.000 7.001 15 - 10000 2000.00 35.145 6.239 41.384 10.29 0.071 0.500 0.159 2.268 318.858 400.000 13.972 15 - 20000 4000.00 36.747 -4.159 32.588 6.98 0.000 1.000 0.295 1.598 333.392 400.000 9.427 15 - 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800000 160000.00 34.754 -6.514 28.239 5.53 0.071 0.750 0.386 1.673 315.305 380.000 7.450 15 - 810000 162000.00 38.390 3.614 42.004 9.26 0.000 1.000 0.182 3.171 348.295 370.000 12.690 15 - 820000 164000.00 43.232 -16.860 26.372 4.92 0.143 0.667 0.356 0.813 392.226 370.000 8.428 15 - 830000 166000.00 41.832 7.282 49.114 8.18 0.000 1.000 0.182 2.212 379.523 370.000 9.985 15 - 840000 168000.00 40.903 -5.976 34.927 4.79 0.000 1.000 0.205 1.738 371.093 370.000 9.466 15 - 850000 170000.00 42.240 4.899 47.139 8.14 0.000 1.000 0.205 1.767 383.224 370.000 9.382 15 - 860000 172000.00 48.866 -1.842 47.024 5.71 0.143 0.600 0.227 2.152 443.337 370.000 8.873 15 - 870000 174000.00 37.435 -7.365 30.070 4.38 0.071 0.800 0.473 2.960 339.633 370.000 7.910 15 - 880000 176000.00 41.818 -14.839 26.979 5.18 0.143 0.333 0.485 2.273 379.397 370.000 7.718 15 - 890000 178000.00 43.405 13.784 57.189 6.20 0.000 1.000 0.455 2.374 393.793 370.000 9.138 15 - 900000 180000.00 34.958 -1.998 32.960 4.61 0.071 0.750 0.545 2.010 317.155 370.000 7.537 15 - 910000 182000.00 35.216 -14.673 20.544 5.03 0.000 1.000 0.326 0.690 319.501 360.000 7.872 15 - 920000 184000.00 36.440 -12.665 23.775 3.99 0.143 0.667 0.386 2.905 330.598 360.000 7.873 15 - 930000 186000.00 32.204 -0.566 31.637 7.22 0.143 0.333 0.136 1.993 292.167 360.000 10.179 15 - 940000 188000.00 50.379 -0.538 49.840 8.54 0.000 1.000 0.182 1.783 457.060 360.000 10.524 15 - 950000 190000.00 39.757 2.327 42.084 6.88 0.000 1.000 0.636 0.835 360.696 360.000 9.838 15 - 960000 192000.00 40.993 -4.462 36.532 5.97 0.000 1.000 0.216 2.419 371.911 360.000 9.374 15 - 970000 194000.00 33.963 -10.653 23.310 9.31 0.000 1.000 0.136 1.189 308.131 360.000 12.524 15 - 980000 196000.00 37.686 -7.148 30.539 7.55 0.071 0.667 0.167 1.098 341.908 360.000 8.300 15 - 990000 198000.00 37.058 -13.941 23.117 3.85 0.214 0.667 0.364 2.712 336.212 360.000 7.724 15 - 1000000 200000.00 34.130 6.294 40.424 7.89 0.071 0.500 0.182 1.350 309.644 360.000 9.459 15