Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB053.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat
deleted file mode 100644 (file)
index 982ec02..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB053.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      43.514     112.708     156.222  12.87 0.000   NaN   NaN 4.850     394.782     380.000      15.552   53 
-     10000        2000.00      42.514       7.038      49.552   7.46 0.071 0.800 0.327 1.275     385.711     380.000       8.795   53 
-     20000        4000.00      30.645       7.499      38.143   6.88 0.071 0.750 0.193 0.590     278.023     380.000      10.251   53 
-     30000        6000.00      46.281      15.035      61.316   5.75 0.071 0.500 0.159 0.344     419.882     380.000       9.809   53 
-     40000        8000.00      47.503      12.203      59.707   6.78 0.143 0.500 0.227 0.770     430.973     380.000       9.190   53 
-     50000       10000.00      39.911      10.198      50.109   5.74 0.143 0.600 0.255 0.283     362.094     380.000       7.256   53 
-     60000       12000.00      44.725       5.015      49.740   5.22 0.071 0.667 0.152 1.162     405.765     380.000       8.092   53 
-     70000       14000.00      39.352      19.714      59.066   6.48 0.000 1.000 0.341 0.192     357.024     380.000       9.016   53 
-     80000       16000.00      35.759       7.344      43.104   5.50 0.143 0.000 0.136 0.459     324.427     380.000      10.146   53 
-     90000       18000.00      37.777      12.852      50.629   6.57 0.071 0.750 0.205 0.904     342.731     380.000       9.195   53 
-    100000       20000.00      39.895      10.379      50.275   5.02 0.143 0.600 0.364 0.620     361.949     380.000       7.698   53 
-    110000       22000.00      32.070      13.041      45.111   5.13 0.071 0.667 0.333 0.677     290.955     380.000       7.632   53 
-    120000       24000.00      29.944       9.542      39.486   4.01 0.000 1.000 0.409 0.173     271.667     380.000       8.229   53 
-    130000       26000.00      46.071      17.352      63.423   5.50 0.000 1.000 0.173 0.355     417.978     380.000       9.510   53 
-    140000       28000.00      42.764      12.438      55.201   9.44 0.000   NaN   NaN 0.477     387.974     380.000      11.181   53 
-    150000       30000.00      27.659      12.740      40.399   5.58 0.000 1.000 0.227 0.683     250.938     380.000       9.369   53 
-    160000       32000.00      32.127       5.936      38.062   6.36 0.071 0.667 0.152 0.334     291.470     380.000      10.554   53 
-    170000       34000.00      41.686       9.312      50.998   6.06 0.071 0.800 0.455 0.761     378.198     380.000       8.720   53 
-    180000       36000.00      47.017      17.677      64.694   5.68 0.143 0.667 0.250 0.941     426.565     380.000       8.592   53 
-    190000       38000.00      34.985      14.618      49.604   7.06 0.143 0.600 0.145 0.169     317.403     380.000      10.989   53 
-    200000       40000.00      32.168      14.282      46.450   8.59 0.071 0.800 0.236 0.414     291.842     380.000      11.366   53 
-    210000       42000.00      30.088       0.603      30.691   4.54 0.143 0.750 0.386 0.337     272.971     370.000       8.045   53 
-    220000       44000.00      40.480      11.867      52.347   6.41 0.071 0.857 0.325 0.434     367.259     370.000       7.257   53 
-    230000       46000.00      43.396       1.093      44.489   7.33 0.143 0.714 0.188 0.587     393.709     370.000       9.587   53 
-    240000       48000.00      37.273       4.945      42.218   6.19 0.071 0.667 0.227 0.360     338.164     370.000       9.807   53 
-    250000       50000.00      32.252       8.673      40.925   7.63 0.000 1.000 0.182 0.299     292.609     370.000      10.305   53 
-    260000       52000.00      40.722      14.630      55.352   4.74 0.000 1.000 0.409 0.930     369.454     370.000       8.988   53 
-    270000       54000.00      41.451       2.455      43.906   4.44 0.000 1.000 0.205 0.328     376.068     370.000       8.017   53 
-    280000       56000.00      34.069      11.083      45.151   5.75 0.143 0.778 0.187 1.334     309.088     370.000       8.770   53 
-    290000       58000.00      37.132      10.444      47.575   7.03 0.000 1.000 0.455 0.506     336.877     370.000       7.656   53 
-    300000       60000.00      39.956       5.753      45.708   6.18 0.000 1.000 0.212 0.250     362.497     370.000       9.992   53 
-    310000       62000.00      31.990       5.686      37.676   5.75 0.071 0.833 0.303 0.475     290.230     370.000       9.011   53 
-    320000       64000.00      32.836      12.828      45.664   7.60 0.000   NaN   NaN 0.227     297.909     370.000      12.321   53 
-    330000       66000.00      34.220      12.882      47.103   6.71 0.071 0.875 0.409 0.399     310.465     370.000       8.002   53 
-    340000       68000.00      48.596      11.258      59.853   6.57 0.143 0.500 0.170 1.597     440.885     370.000       9.865   53 
-    350000       70000.00      46.221      13.329      59.550   5.80 0.071 0.500 0.205 0.248     419.337     370.000       9.500   53 
-    360000       72000.00      36.398      12.411      48.808   5.25 0.071 0.667 0.152 0.402     330.217     370.000       9.957   53 
-    370000       74000.00      42.256      -5.617      36.639   4.35 0.214 0.571 0.175 0.219     383.365     370.000       7.724   53 
-    380000       76000.00      43.304      15.171      58.475   8.05 0.071 0.000 0.136 0.679     392.879     370.000      11.763   53 
-    390000       78000.00      38.549       8.973      47.522   5.83 0.143 0.000 0.182 0.278     349.734     370.000       9.274   53 
-    400000       80000.00      38.282      17.208      55.490   7.47 0.000 1.000 0.273 0.824     347.316     370.000      11.313   53 
-    410000       82000.00      35.349      16.372      51.721   7.41 0.143 0.333 0.152 0.559     320.704     360.000       8.943   53 
-    420000       84000.00      38.371       8.957      47.327   6.09 0.071 0.857 0.344 0.671     348.117     360.000       7.579   53 
-    430000       86000.00      37.889       6.883      44.773   5.77 0.000 1.000 0.530 0.608     343.753     360.000       9.069   53 
-    440000       88000.00      37.578       7.630      45.209   4.53 0.143 0.667 0.485 0.432     340.929     360.000       8.337   53 
-    450000       90000.00      39.279      -0.937      38.343   6.78 0.000 1.000 0.373 0.842     356.363     360.000       9.354   53 
-    460000       92000.00      26.543       6.352      32.895   6.58 0.143 0.833 0.352 0.254     240.812     360.000       7.889   53 
-    470000       94000.00      34.577      -0.574      34.003   7.10 0.071 0.800 0.191 0.898     313.699     360.000       8.955   53 
-    480000       96000.00      47.840      -8.395      39.445   3.98 0.071 0.857 0.377 0.270     434.033     360.000       8.282   53 
-    490000       98000.00      39.817      -8.602      31.215   6.09 0.071 0.833 0.258 0.933     361.236     360.000       7.236   53 
-    500000      100000.00      36.559      11.665      48.223   5.23 0.000 1.000 0.273 0.758     331.679     360.000       9.131   53 
-    510000      102000.00      39.309       8.592      47.901   6.61 0.143 0.667 0.242 1.388     356.632     390.000       9.942   53 
-    520000      104000.00      42.790       6.649      49.439   4.85 0.143 0.333 0.152 0.387     388.217     390.000       8.553   53 
-    530000      106000.00      35.586       6.128      41.715   7.25 0.071 0.500 0.205 0.169     322.858     390.000       9.449   53 
-    540000      108000.00      35.549       2.324      37.874   5.76 0.071 0.833 0.288 0.279     322.519     390.000       8.045   53 
-    550000      110000.00      39.794      20.247      60.042   6.88 0.000   NaN   NaN 0.515     361.036     390.000      10.593   53 
-    560000      112000.00      33.987       1.579      35.566   4.57 0.143 0.600 0.355 0.363     308.349     390.000       7.525   53 
-    570000      114000.00      38.568      10.096      48.665   5.80 0.071 0.800 0.418 0.966     349.912     390.000       8.962   53 
-    580000      116000.00      32.538       9.598      42.136   4.74 0.214 0.400 0.264 0.654     295.201     390.000       7.585   53 
-    590000      118000.00      39.606      14.384      53.991   8.27 0.143 0.500 0.159 1.503     359.330     390.000      11.160   53 
-    600000      120000.00      46.450       5.027      51.477   5.27 0.071 0.500 0.159 0.558     421.420     390.000       8.829   53 
-    610000      122000.00      41.277      15.789      57.066   9.03 0.071 0.000 0.136 0.615     374.488     380.000      12.227   53 
-    620000      124000.00      36.507       6.443      42.950   6.29 0.071 0.500 0.182 0.370     331.210     380.000      10.870   53 
-    630000      126000.00      40.390      15.464      55.854   6.66 0.143 0.000 0.341 0.922     366.439     380.000      10.058   53 
-    640000      128000.00      40.702      13.015      53.717   6.17 0.000 1.000 0.291 0.806     369.268     380.000       8.353   53 
-    650000      130000.00      31.904      14.189      46.093   7.09 0.000 1.000 0.136 0.576     289.448     380.000      10.915   53 
-    660000      132000.00      33.006      12.826      45.832   7.65 0.000 1.000 0.260 0.603     299.445     380.000       9.661   53 
-    670000      134000.00      28.716      10.527      39.243   7.87 0.143 0.600 0.200 0.565     260.527     380.000      11.044   53 
-    680000      136000.00      35.253      10.554      45.806   8.18 0.071 0.667 0.197 0.580     319.829     380.000       9.888   53 
-    690000      138000.00      40.913      -4.726      36.187   5.54 0.071 0.833 0.250 0.541     371.182     380.000       8.167   53 
-    700000      140000.00      34.693      18.467      53.161   6.62 0.071 0.800 0.191 0.887     314.756     380.000      10.660   53 
-    710000      142000.00      36.200       9.433      45.633   6.14 0.143 0.750 0.267 0.314     328.425     370.000       8.372   53 
-    720000      144000.00      33.137       3.685      36.821   4.45 0.000 1.000 0.167 0.850     300.632     370.000       8.354   53 
-    730000      146000.00      36.009       4.165      40.174   5.13 0.143 0.600 0.536 1.205     326.695     370.000       7.918   53 
-    740000      148000.00      43.080      13.242      56.323   5.75 0.143 0.600 0.336 0.253     390.847     370.000       7.951   53 
-    750000      150000.00      40.333       8.968      49.302   6.44 0.071 0.833 0.288 0.544     365.923     370.000       8.179   53 
-    760000      152000.00      39.530       0.048      39.579   7.33 0.143 0.750 0.335 1.424     358.639     370.000       7.004   53 
-    770000      154000.00      28.492       7.712      36.203   7.42 0.000 1.000 0.345 0.309     258.492     370.000       8.824   53 
-    780000      156000.00      35.888       3.330      39.217   3.38 0.214 0.786 0.292 0.358     325.590     370.000       6.779   53 
-    790000      158000.00      33.385       8.123      41.507   5.09 0.214 0.400 0.209 1.121     302.882     370.000       8.187   53 
-    800000      160000.00      36.574      18.766      55.340   4.65 0.000 1.000 0.170 0.511     331.815     370.000       9.165   53 
-    810000      162000.00      53.148       2.512      55.660   5.96 0.071 0.889 0.313 0.799     482.187     370.000       7.420   53 
-    820000      164000.00      33.181      11.963      45.145   8.68 0.000 1.000 0.273 1.016     301.037     370.000      12.343   53 
-    830000      166000.00      40.106      -1.443      38.663   7.47 0.071 0.800 0.236 1.196     363.864     370.000      11.117   53 
-    840000      168000.00      36.277      -5.583      30.694   6.04 0.071 0.500 0.136 1.060     329.122     370.000       9.060   53 
-    850000      170000.00      24.855       6.580      31.435   4.87 0.000 1.000 0.212 0.999     225.494     370.000       8.801   53 
-    860000      172000.00      35.391       6.616      42.007   5.63 0.143 0.667 0.371 0.531     321.084     370.000       7.375   53 
-    870000      174000.00      28.593       6.260      34.852   4.80 0.214 0.571 0.266 0.289     259.407     370.000       7.780   53 
-    880000      176000.00      27.710      10.848      38.558   8.87 0.000   NaN   NaN 0.672     251.397     370.000      12.212   53 
-    890000      178000.00      35.273      10.545      45.817   7.51 0.214 0.400 0.200 0.205     320.012     370.000      10.157   53 
-    900000      180000.00      33.800       3.495      37.295   4.54 0.143 0.600 0.227 0.256     306.655     370.000       8.578   53 
-    910000      182000.00      44.870      -1.659      43.212   4.43 0.286 0.333 0.288 1.109     407.085     360.000       7.994   53 
-    920000      184000.00      32.651       7.858      40.508   9.33 0.071 0.667 0.152 0.172     296.222     360.000      11.879   53 
-    930000      186000.00      30.500       3.586      34.086   6.49 0.000 1.000 0.212 0.593     276.714     360.000       8.303   53 
-    940000      188000.00      34.852      -1.871      32.981   6.95 0.071 0.800 0.182 0.816     316.198     360.000      11.077   53 
-    950000      190000.00      39.217       3.764      42.981   5.80 0.071 0.800 0.173 0.313     355.796     360.000       9.746   53 
-    960000      192000.00      34.273      11.556      45.828   6.25 0.000 1.000 0.568 0.439     310.941     360.000       7.643   53 
-    970000      194000.00      32.964      -2.439      30.525   4.30 0.214 0.750 0.356 0.456     299.066     360.000       7.361   53 
-    980000      196000.00      34.443       7.309      41.753   7.24 0.071 0.750 0.205 0.457     312.489     360.000       8.705   53 
-    990000      198000.00      42.787      18.675      61.462   6.85 0.000 1.000 0.239 0.557     388.182     360.000      10.001   53 
-   1000000      200000.00      26.919       8.109      35.028   7.28 0.071 0.667 0.273 0.433     244.225     360.000       8.615   53