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

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_gab / 1L2Y_REMD_GB015.stat

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 (file)
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 
-     30000        6000.00      36.421       3.209      39.629   8.24 0.143 0.600 0.173 1.568     330.429     400.000      10.038   15 
-     40000        8000.00      35.787      -1.151      34.635   5.12 0.143 0.600 0.364 1.962     324.676     400.000       8.448   15 
-     50000       10000.00      36.446      11.571      48.017   5.98 0.000   NaN   NaN 4.207     330.659     400.000       9.491   15 
-     60000       12000.00      38.375      -7.379      30.997   6.03 0.000 1.000 0.500 1.839     348.160     400.000       7.519   15 
-     70000       14000.00      40.135      -9.500      30.635   4.60 0.143 0.333 0.212 2.493     364.123     400.000       9.266   15 
-     80000       16000.00      46.685       8.712      55.397   5.13 0.071 0.750 0.284 2.337     423.554     400.000       8.649   15 
-     90000       18000.00      30.755     -11.636      19.119   6.16 0.214 0.500 0.333 2.124     279.023     400.000       7.706   15 
-    100000       20000.00      43.667      13.376      57.044   4.81 0.214 0.250 0.273 2.360     396.171     400.000       8.149   15 
-    110000       22000.00      42.037       7.636      49.673   9.11 0.071 0.500 0.136 1.651     381.381     390.000      12.789   15 
-    120000       24000.00      32.956      13.873      46.829   6.78 0.071 0.667 0.227 1.098     298.995     390.000       9.071   15 
-    130000       26000.00      40.349      19.808      60.157   6.18 0.000 1.000 0.227 1.666     366.062     390.000       9.632   15 
-    140000       28000.00      43.731       2.821      46.553   7.71 0.000 1.000 0.227 1.592     396.753     390.000      10.897   15 
-    150000       30000.00      35.005       3.218      38.224   7.46 0.000 1.000 0.182 2.036     317.587     390.000      11.772   15 
-    160000       32000.00      42.787      -2.838      39.948   7.56 0.071 0.667 0.182 1.135     388.182     390.000       9.353   15 
-    170000       34000.00      44.227       7.525      51.752   7.97 0.000 1.000 0.182 2.475     401.249     390.000      10.894   15 
-    180000       36000.00      40.668      -1.379      39.289  10.99 0.071 0.000 0.136 2.728     368.960     390.000      14.664   15 
-    190000       38000.00      36.042      -7.576      28.467  10.11 0.071 0.667 0.182 1.324     326.993     390.000      13.559   15 
-    200000       40000.00      35.645       4.522      40.167   4.93 0.000 1.000 0.518 1.568     323.391     390.000       8.056   15 
-    210000       42000.00      46.948       4.295      51.243   7.71 0.000 1.000 0.159 2.165     425.935     380.000      11.870   15 
-    220000       44000.00      38.458      -2.651      35.807   7.31 0.143 0.667 0.288 2.426     348.908     380.000      10.149   15 
-    230000       46000.00      38.378       1.976      40.354   4.62 0.071 0.889 0.449 3.187     348.185     380.000       8.328   15 
-    240000       48000.00      40.435      -8.614      31.821   7.00 0.000 1.000 0.245 1.266     366.846     380.000       7.928   15 
-    250000       50000.00      37.522      -6.052      31.471  10.72 0.071 0.667 0.167 1.656     340.421     380.000      13.608   15 
-    260000       52000.00      34.085       3.441      37.526   7.20 0.071 0.000 0.182 1.661     309.239     380.000      11.212   15 
-    270000       54000.00      45.481      10.090      55.571   8.74 0.143 0.500 0.205 3.484     412.628     380.000      11.213   15 
-    280000       56000.00      37.249       5.961      43.210   7.93 0.000 1.000 0.250 2.687     337.942     380.000      11.617   15 
-    290000       58000.00      40.884      -2.744      38.140   6.05 0.071 0.750 0.409 1.523     370.924     380.000       7.841   15 
-    300000       60000.00      36.382      -2.796      33.586   9.52 0.071 0.000 0.182 2.022     330.074     380.000      13.350   15 
-    310000       62000.00      34.916      -7.626      27.290   5.24 0.214 0.625 0.335 1.982     316.777     370.000       7.626   15 
-    320000       64000.00      34.175       3.409      37.584   7.45 0.000 1.000 0.273 2.575     310.051     370.000      10.159   15 
-    330000       66000.00      41.598       3.490      45.088   8.44 0.000 1.000 0.227 1.498     377.398     370.000      11.500   15 
-    340000       68000.00      28.967      -4.894      24.073   8.56 0.000   NaN   NaN 2.393     262.806     370.000      12.474   15 
-    350000       70000.00      29.877      -3.160      26.717   4.90 0.071 0.000 0.182 1.785     271.060     370.000       9.272   15 
-    360000       72000.00      30.461      -4.405      26.056   7.03 0.071 0.000 0.182 2.270     276.354     370.000      10.840   15 
-    370000       74000.00      37.081       4.236      41.317   5.83 0.071 0.667 0.212 2.223     336.419     370.000       8.756   15 
-    380000       76000.00      40.238      -6.363      33.875   6.88 0.143 0.333 0.152 1.248     365.061     370.000       9.899   15 
-    390000       78000.00      33.617      -3.166      30.450   5.23 0.000 1.000 0.364 0.940     304.988     370.000       7.967   15 
-    400000       80000.00      28.758      -1.769      26.989   6.14 0.214 0.625 0.205 2.500     260.908     370.000       9.434   15 
-    410000       82000.00      43.213      -6.212      37.001   6.96 0.071 0.000 0.182 1.900     392.054     360.000      10.700   15 
-    420000       84000.00      39.101      -3.912      35.189   5.09 0.071 0.500 0.182 2.877     354.744     360.000       9.081   15 
-    430000       86000.00      32.750      -7.848      24.902   7.51 0.143 0.600 0.164 1.741     297.125     360.000      10.079   15 
-    440000       88000.00      36.296       1.599      37.895   5.30 0.000 1.000 0.258 1.667     329.299     360.000       9.235   15 
-    450000       90000.00      26.389      -4.918      21.471   8.18 0.071 0.500 0.205 3.547     239.411     360.000      11.401   15 
-    460000       92000.00      38.505      -3.697      34.808   7.13 0.071 0.800 0.309 1.796     349.335     360.000       8.763   15 
-    470000       94000.00      34.406      -4.306      30.101   6.53 0.071 0.667 0.333 2.103     312.153     360.000       9.113   15 
-    480000       96000.00      37.215      -0.298      36.917   4.85 0.143 0.500 0.273 1.258     337.631     360.000       8.127   15 
-    490000       98000.00      33.097      -5.555      27.541   4.54 0.071 0.667 0.333 2.411     300.272     360.000       8.803   15 
-    500000      100000.00      38.323     -13.076      25.248   8.51 0.143 0.333 0.152 2.589     347.689     360.000      12.526   15 
-    510000      102000.00      36.843     -21.151      15.691   8.59 0.000 1.000 0.258 2.588     334.256     350.000      11.465   15 
-    520000      104000.00      29.889      -7.040      22.848   8.58 0.143 0.000 0.136 3.951     271.168     350.000      11.690   15 
-    530000      106000.00      36.350     -14.339      22.011   7.18 0.214 0.400 0.173 2.441     329.788     350.000      10.378   15 
-    540000      108000.00      33.400      -7.681      25.719   5.72 0.071 0.833 0.227 1.363     303.024     350.000       8.316   15 
-    550000      110000.00      44.854      -9.272      35.582   6.97 0.071 0.750 0.239 1.573     406.942     350.000       8.217   15 
-    560000      112000.00      27.661     -10.022      17.639   7.62 0.071 0.800 0.236 1.507     250.956     350.000       9.823   15 
-    570000      114000.00      40.508       3.103      43.611   5.45 0.000 1.000 0.182 1.766     367.507     350.000       9.322   15 
-    580000      116000.00      35.490      -1.927      33.562   7.17 0.071 0.667 0.379 1.368     321.983     350.000       9.750   15 
-    590000      118000.00      38.788       5.275      44.064   4.66 0.143 0.667 0.189 1.856     351.907     350.000       8.439   15 
-    600000      120000.00      35.633      -3.463      32.170   9.57 0.214 0.000 0.152 3.053     323.281     350.000      13.149   15 
-    610000      122000.00      36.652     -16.227      20.425   5.08 0.143 0.667 0.318 1.104     332.530     340.000       7.850   15 
-    620000      124000.00      34.092     -19.445      14.647   4.67 0.000 1.000 0.474 3.282     309.301     340.000       7.925   15 
-    630000      126000.00      42.510      -3.324      39.186   8.17 0.071 0.667 0.197 1.101     385.673     340.000       9.242   15 
-    640000      128000.00      41.134     -13.646      27.489   6.11 0.143 0.750 0.205 1.602     373.191     340.000       7.563   15 
-    650000      130000.00      33.623      -9.304      24.319   5.56 0.143 0.600 0.145 1.529     305.049     340.000      10.534   15 
-    660000      132000.00      22.412      -1.542      20.870   6.56 0.000 1.000 0.212 2.429     203.333     340.000       9.308   15 
-    670000      134000.00      27.664      -8.921      18.743   8.58 0.071 0.750 0.205 1.674     250.984     340.000      10.483   15 
-    680000      136000.00      31.324       1.495      32.818   7.07 0.000 1.000 0.182 2.652     284.185     340.000      10.441   15 
-    690000      138000.00      27.077      -9.643      17.434   4.60 0.071 0.857 0.312 2.601     245.656     340.000       7.450   15 
-    700000      140000.00      34.229     -12.722      21.507   4.82 0.071 0.500 0.136 2.218     310.547     340.000       9.046   15 
-    710000      142000.00      34.222      -6.972      27.250   7.49 0.071 0.800 0.191 1.499     310.476     380.000       8.909   15 
-    720000      144000.00      35.650      -4.984      30.666   9.99 0.071 0.500 0.182 3.560     323.436     380.000      13.459   15 
-    730000      146000.00      42.172      -2.422      39.750   4.61 0.214 0.571 0.344 1.854     382.604     380.000       8.405   15 
-    740000      148000.00      38.618       4.573      43.191  10.60 0.071 0.000 0.182 1.364     350.359     380.000      13.518   15 
-    750000      150000.00      39.107       4.109      43.216   6.05 0.143 0.667 0.333 3.175     354.796     380.000       7.494   15 
-    760000      152000.00      30.344       5.629      35.973   9.32 0.071 0.000 0.136 1.908     275.299     380.000      13.734   15 
-    770000      154000.00      39.230      20.298      59.528   5.08 0.071 0.750 0.455 1.976     355.910     380.000       9.031   15 
-    780000      156000.00      40.066      -0.724      39.341   4.21 0.143 0.000 0.136 2.637     363.495     380.000       9.323   15 
-    790000      158000.00      40.440       6.718      47.159   7.43 0.071 0.500 0.159 3.582     366.896     380.000      11.422   15 
-    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