Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_1l2y / 1L2Y_REMD_GB014.stat

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB014.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB014.stat
deleted file mode 100644 (file)
index 28885b4..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB014.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      54.358      69.937     124.296   0.00 1.000 0.000 0.308 1.973     493.167     390.000       7.001   14 
-     10000        2000.00      36.581      14.229      50.809   4.41 0.143 0.750 0.466 0.378     331.879     390.000       8.060   14 
-     20000        4000.00      40.622       3.894      44.516   5.16 0.071 0.833 0.212 1.094     368.544     390.000       8.958   14 
-     30000        6000.00      37.559       9.617      47.176   6.82 0.143 0.500 0.136 0.461     340.755     390.000       9.968   14 
-     40000        8000.00      31.917      -1.979      29.938   5.16 0.143 0.714 0.461 1.141     289.563     390.000       7.486   14 
-     50000       10000.00      39.135      13.732      52.867   6.27 0.000 1.000 0.182 0.716     355.053     390.000       8.799   14 
-     60000       12000.00      48.695       8.214      56.909   6.36 0.143 0.000 0.159 0.465     441.787     390.000      10.383   14 
-     70000       14000.00      36.653      11.328      47.981   7.61 0.143 0.600 0.173 0.594     332.533     390.000       9.128   14 
-     80000       16000.00      35.858       7.091      42.949   5.37 0.071 0.750 0.284 0.283     325.324     390.000       8.148   14 
-     90000       18000.00      42.010      22.327      64.336   4.45 0.143 0.500 0.148 0.716     381.133     390.000       8.047   14 
-    100000       20000.00      46.342      15.951      62.292   7.93 0.000 1.000 0.242 0.651     420.435     390.000       9.114   14 
-    110000       22000.00      38.196      13.096      51.292   5.32 0.143 0.600 0.182 0.212     346.535     380.000       8.134   14 
-    120000       24000.00      40.769       8.920      49.689   5.03 0.214 0.500 0.220 0.596     369.881     380.000       8.940   14 
-    130000       26000.00      47.087       9.747      56.834   4.69 0.214 0.571 0.506 0.458     427.202     380.000       7.063   14 
-    140000       28000.00      37.513      -1.229      36.284   5.58 0.143 0.750 0.364 0.439     340.337     380.000       7.235   14 
-    150000       30000.00      37.396       6.033      43.429   8.58 0.000   NaN   NaN 1.004     339.276     380.000      11.011   14 
-    160000       32000.00      37.991      13.289      51.280   5.78 0.143 0.500 0.307 0.743     344.674     380.000       8.545   14 
-    170000       34000.00      34.095      19.863      53.958   5.02 0.071 0.750 0.148 0.571     309.327     380.000       9.417   14 
-    180000       36000.00      30.304      13.199      43.502  10.03 0.000   NaN   NaN 0.843     274.930     380.000      13.626   14 
-    190000       38000.00      41.030       1.941      42.972   5.23 0.071 0.750 0.159 0.376     372.249     380.000       8.122   14 
-    200000       40000.00      38.484       5.323      43.807   5.20 0.143 0.778 0.298 1.371     349.144     380.000       7.491   14 
-    210000       42000.00      50.907       9.122      60.029   3.60 0.214 0.700 0.323 0.980     461.855     370.000       7.659   14 
-    220000       44000.00      39.210      18.295      57.506   4.05 0.143 0.000 0.136 0.408     355.738     370.000       8.724   14 
-    230000       46000.00      29.652       6.100      35.752   5.42 0.000 1.000 0.193 0.413     269.014     370.000       8.649   14 
-    240000       48000.00      41.923      12.188      54.111   6.04 0.071 0.889 0.293 0.429     380.346     370.000       8.786   14 
-    250000       50000.00      41.558       4.036      45.593   6.78 0.143 0.667 0.242 0.696     377.033     370.000       7.906   14 
-    260000       52000.00      35.345       3.136      38.480   6.09 0.000 1.000 0.212 0.971     320.665     370.000       9.817   14 
-    270000       54000.00      38.233       8.382      46.615   5.35 0.143 0.667 0.477 0.141     346.874     370.000       8.242   14 
-    280000       56000.00      46.056      -3.824      42.232   7.34 0.143 0.750 0.307 1.094     417.847     370.000       8.335   14 
-    290000       58000.00      34.668      10.607      45.275   6.03 0.143 0.333 0.152 0.609     314.527     370.000      10.769   14 
-    300000       60000.00      33.575      13.587      47.161   5.00 0.143 0.333 0.212 0.624     304.607     370.000       8.572   14 
-    310000       62000.00      43.600      22.515      66.116   5.37 0.000 1.000 0.182 0.586     395.565     400.000       7.598   14 
-    320000       64000.00      30.196      13.335      43.531   6.71 0.143 0.333 0.152 0.575     273.955     400.000       9.337   14 
-    330000       66000.00      32.031       0.704      32.736   4.57 0.214 0.625 0.398 0.279     290.605     400.000       7.502   14 
-    340000       68000.00      35.148      23.489      58.637   5.31 0.000   NaN   NaN 0.154     318.884     400.000       9.346   14 
-    350000       70000.00      42.595      17.553      60.148   5.70 0.000 1.000 0.455 1.051     386.446     400.000       7.695   14 
-    360000       72000.00      48.495      12.269      60.764   5.87 0.071 0.833 0.371 1.024     439.976     400.000       8.110   14 
-    370000       74000.00      37.215      11.993      49.207   7.91 0.000 1.000 0.273 0.336     337.629     400.000       8.782   14 
-    380000       76000.00      43.220      12.039      55.259   5.36 0.071 0.800 0.318 0.162     392.111     400.000       7.536   14 
-    390000       78000.00      36.969      -1.325      35.644   4.54 0.214 0.625 0.358 0.592     335.401     400.000       7.987   14 
-    400000       80000.00      41.952      16.808      58.760   4.69 0.071 0.917 0.375 0.708     380.610     400.000       8.055   14 
-    410000       82000.00      36.052       9.631      45.683   7.19 0.143 0.500 0.216 0.453     327.081     390.000      10.174   14 
-    420000       84000.00      32.238      17.039      49.276   4.44 0.143 0.667 0.288 0.539     292.476     390.000       8.196   14 
-    430000       86000.00      34.362      12.164      46.526   6.83 0.000 1.000 0.136 0.798     311.750     390.000       8.506   14 
-    440000       88000.00      41.975      22.674      64.649   7.55 0.071 0.000 0.136 0.512     380.819     390.000      11.663   14 
-    450000       90000.00      36.686       5.515      42.202   6.75 0.143 0.500 0.170 0.646     332.838     390.000       9.102   14 
-    460000       92000.00      41.367       3.375      44.743   7.60 0.214 0.500 0.242 0.360     375.306     390.000       8.196   14 
-    470000       94000.00      42.702       6.232      48.934   5.02 0.143 0.500 0.216 0.775     387.416     390.000       8.938   14 
-    480000       96000.00      42.964      10.927      53.891   4.91 0.143 0.500 0.386 0.815     389.793     390.000       7.982   14 
-    490000       98000.00      42.694       7.998      50.691   5.77 0.071 0.500 0.136 0.623     387.338     390.000       8.969   14 
-    500000      100000.00      44.684       8.691      53.374   7.57 0.143 0.333 0.167 0.567     405.392     390.000      10.129   14 
-    510000      102000.00      48.646      10.116      58.762   4.99 0.000 1.000 0.303 0.252     441.342     380.000       8.950   14 
-    520000      104000.00      42.852      17.909      60.761   6.65 0.071 0.750 0.307 0.292     388.778     380.000       9.658   14 
-    530000      106000.00      38.656       7.949      46.605   6.15 0.214 0.571 0.403 0.406     350.707     380.000       6.846   14 
-    540000      108000.00      35.516       1.493      37.010   5.47 0.000 1.000 0.348 0.485     322.224     380.000       7.117   14 
-    550000      110000.00      35.975      -3.333      32.642   7.15 0.214 0.571 0.175 0.623     326.382     380.000       8.840   14 
-    560000      112000.00      42.847      10.051      52.898   5.40 0.000 1.000 0.409 0.632     388.729     380.000       8.074   14 
-    570000      114000.00      48.645       6.949      55.594   5.04 0.143 0.600 0.255 0.291     441.335     380.000       8.415   14 
-    580000      116000.00      30.176       9.958      40.134   4.63 0.214 0.250 0.182 0.385     273.775     380.000       7.979   14 
-    590000      118000.00      35.814      15.732      51.546   7.38 0.071 0.750 0.148 0.355     324.921     380.000      11.197   14 
-    600000      120000.00      38.295       9.724      48.019   6.42 0.000 1.000 0.227 0.398     347.429     380.000       8.133   14 
-    610000      122000.00      38.461      24.215      62.675   9.03 0.000   NaN   NaN 0.666     348.935     370.000      12.565   14 
-    620000      124000.00      41.049       7.653      48.702   4.24 0.071 0.750 0.534 0.397     372.417     370.000       7.722   14 
-    630000      126000.00      43.692       4.935      48.627   5.86 0.000 1.000 0.258 0.585     396.397     370.000       8.519   14 
-    640000      128000.00      41.978       5.735      47.712   5.07 0.143 0.667 0.136 1.005     380.843     370.000      10.026   14 
-    650000      130000.00      38.685       2.374      41.059   6.15 0.071 0.667 0.182 0.416     350.969     370.000       9.864   14 
-    660000      132000.00      43.129       8.138      51.267   3.96 0.143 0.750 0.426 0.688     391.290     370.000       7.187   14 
-    670000      134000.00      34.358       6.619      40.978   8.74 0.000 1.000 0.182 0.829     311.715     370.000      11.633   14 
-    680000      136000.00      33.983       0.713      34.696   4.84 0.286 0.556 0.429 0.328     308.308     370.000       7.929   14 
-    690000      138000.00      38.987      11.739      50.727   3.23 0.357 0.583 0.277 0.455     353.713     370.000       6.935   14 
-    700000      140000.00      36.725       2.888      39.613   4.67 0.071 0.889 0.273 0.693     333.190     370.000       8.028   14 
-    710000      142000.00      38.786       9.894      48.680   4.47 0.143 0.714 0.234 0.553     351.883     360.000       7.901   14 
-    720000      144000.00      35.445      11.268      46.713   5.18 0.143 0.750 0.250 0.378     321.579     360.000       7.393   14 
-    730000      146000.00      40.100       3.741      43.841   6.30 0.143 0.714 0.195 0.606     363.806     360.000       8.290   14 
-    740000      148000.00      43.482      11.943      55.425   8.04 0.143 0.667 0.144 0.618     394.492     360.000      10.897   14 
-    750000      150000.00      43.350       2.463      45.813   5.43 0.214 0.571 0.182 0.776     393.294     360.000       8.739   14 
-    760000      152000.00      41.367       7.531      48.898   6.78 0.143 0.500 0.170 0.561     375.304     360.000      10.943   14 
-    770000      154000.00      43.525      -1.954      41.571   5.74 0.071 0.889 0.338 1.231     394.883     360.000       9.115   14 
-    780000      156000.00      40.073       4.619      44.692   6.05 0.000 1.000 0.212 0.715     363.559     360.000       8.729   14 
-    790000      158000.00      30.804       4.505      35.309   4.93 0.214 0.500 0.235 0.705     279.468     360.000       8.609   14 
-    800000      160000.00      34.994       5.964      40.957   7.39 0.000 1.000 0.318 0.413     317.480     360.000       7.710   14 
-    810000      162000.00      36.322       7.963      44.286   7.00 0.000 1.000 0.227 0.233     329.536     380.000       9.040   14 
-    820000      164000.00      50.991       8.022      59.013   4.93 0.071 0.875 0.290 0.623     462.621     380.000       6.966   14 
-    830000      166000.00      47.286      10.684      57.970   6.48 0.000 1.000 0.182 0.881     429.005     380.000       9.647   14 
-    840000      168000.00      44.144      -1.165      42.979   5.24 0.214 0.750 0.314 0.611     400.501     380.000       8.149   14 
-    850000      170000.00      31.902      10.457      42.358   5.31 0.000 1.000 0.636 0.467     289.430     380.000       7.790   14 
-    860000      172000.00      47.506      16.492      63.998   6.02 0.214 0.667 0.258 0.376     430.998     380.000       7.386   14 
-    870000      174000.00      49.784      12.035      61.820   9.76 0.143 0.333 0.182 0.275     451.669     380.000      11.682   14 
-    880000      176000.00      35.042      19.332      54.374   6.86 0.000 1.000 0.205 0.113     317.916     380.000      10.955   14 
-    890000      178000.00      45.710      11.863      57.572   8.60 0.071 0.500 0.205 0.210     414.702     380.000      11.330   14 
-    900000      180000.00      36.839      14.411      51.250   4.98 0.143 0.714 0.305 0.600     334.218     380.000       7.590   14 
-    910000      182000.00      34.672      13.906      48.578   9.47 0.000 1.000 0.227 0.641     314.564     400.000      12.562   14 
-    920000      184000.00      45.136      13.942      59.078   5.70 0.071 0.500 0.205 1.475     409.501     400.000       8.940   14 
-    930000      186000.00      44.551       6.612      51.162   7.57 0.000 1.000 0.398 0.759     404.189     400.000       7.575   14 
-    940000      188000.00      53.098       4.325      57.423   5.95 0.214 0.727 0.455 1.208     481.730     400.000       6.955   14 
-    950000      190000.00      50.318      15.506      65.823   4.71 0.071 0.667 0.242 0.457     456.506     400.000       8.818   14 
-    960000      192000.00      38.636      21.560      60.195   5.93 0.000 1.000 0.182 0.503     350.524     400.000       9.422   14 
-    970000      194000.00      50.817      18.494      69.311   6.26 0.071 0.750 0.227 0.635     461.036     400.000       8.318   14 
-    980000      196000.00      41.857      22.100      63.956   4.95 0.000 1.000 0.312 0.246     379.744     400.000       7.336   14 
-    990000      198000.00      46.385       7.427      53.813   6.73 0.000 1.000 0.318 0.426     420.833     400.000       7.215   14 
-   1000000      200000.00      34.052      15.446      49.498   7.04 0.071 0.750 0.330 0.314     308.940     400.000      10.184   14