Merge branch 'prerelease-3.2.1' into czarek

[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 4f82666..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      33.331      11.629      44.960   4.97 0.071 0.857 0.403 1.539     302.397     400.000       9.299   15 
-     20000        4000.00      31.896       6.706      38.601   7.17 0.071 0.000 0.136 2.316     289.374     400.000      11.392   15 
-     30000        6000.00      35.131      -6.047      29.084   9.10 0.143 0.000 0.159 1.519     318.728     400.000      10.759   15 
-     40000        8000.00      38.831      -2.055      36.776   6.48 0.143 0.333 0.136 3.052     352.290     400.000      10.075   15 
-     50000       10000.00      40.254       3.715      43.969   6.73 0.071 0.667 0.318 1.912     365.206     400.000       9.014   15 
-     60000       12000.00      37.118      12.732      49.851  10.66 0.000   NaN   NaN 2.754     336.757     400.000      14.503   15 
-     70000       14000.00      40.800      -3.546      37.254   7.91 0.000 1.000 0.205 1.610     370.155     400.000      11.641   15 
-     80000       16000.00      39.842      11.659      51.501   5.36 0.000 1.000 0.364 2.332     361.468     400.000       8.388   15 
-     90000       18000.00      36.997      -7.075      29.922   8.65 0.071 0.500 0.159 1.936     335.658     400.000      12.033   15 
-    100000       20000.00      38.241       3.438      41.679   7.10 0.071 0.500 0.182 1.404     346.943     400.000      10.332   15 
-    110000       22000.00      39.021     -10.280      28.741   5.05 0.071 0.500 0.136 2.145     354.022     390.000       9.857   15 
-    120000       24000.00      34.208       1.560      35.768   5.38 0.071 0.667 0.182 1.584     310.353     390.000       8.851   15 
-    130000       26000.00      38.578      17.059      55.638   5.27 0.000 1.000 0.159 2.447     350.003     390.000       8.863   15 
-    140000       28000.00      35.745     -13.300      22.445   5.41 0.143 0.600 0.373 2.040     324.295     390.000       7.604   15 
-    150000       30000.00      44.230       3.231      47.461   7.89 0.000 1.000 0.136 2.616     401.279     390.000      12.791   15 
-    160000       32000.00      44.212      -0.622      43.590   5.64 0.143 0.500 0.193 0.434     401.113     390.000      10.068   15 
-    170000       34000.00      47.456       2.455      49.911   6.47 0.071 0.667 0.197 1.630     430.546     390.000       9.019   15 
-    180000       36000.00      41.966      -3.992      37.974   6.29 0.143 0.333 0.212 1.570     380.736     390.000       9.856   15 
-    190000       38000.00      30.238      10.772      41.009   4.92 0.071 0.800 0.400 1.896     274.334     390.000       7.997   15 
-    200000       40000.00      38.813       1.760      40.572   5.85 0.071 0.000 0.182 1.658     352.128     390.000      10.174   15 
-    210000       42000.00      43.688      19.520      63.208   4.53 0.000 1.000 0.250 1.773     396.363     380.000       8.771   15 
-    220000       44000.00      35.733      -3.137      32.596   4.53 0.071 0.000 0.136 1.099     324.190     380.000       9.751   15 
-    230000       46000.00      37.165      12.571      49.736   7.78 0.000 1.000 0.245 1.347     337.183     380.000       8.395   15 
-    240000       48000.00      39.642     -13.695      25.947   3.69 0.357 0.375 0.267 1.237     359.656     380.000       7.655   15 
-    250000       50000.00      34.828      -0.314      34.514   5.55 0.000 1.000 0.288 1.099     315.978     380.000       7.995   15 
-    260000       52000.00      41.773     -11.425      30.348   6.14 0.214 0.400 0.155 1.678     378.987     380.000       8.217   15 
-    270000       54000.00      38.176      -3.566      34.610   5.86 0.071 0.833 0.424 1.947     346.355     380.000       8.352   15 
-    280000       56000.00      36.427      -7.626      28.801   4.32 0.071 0.750 0.148 1.099     330.486     380.000       8.748   15 
-    290000       58000.00      41.323      -2.009      39.314   5.86 0.071 0.667 0.152 1.255     374.901     380.000       9.570   15 
-    300000       60000.00      36.587      -1.566      35.020   5.58 0.143 0.333 0.152 1.684     331.932     380.000       9.489   15 
-    310000       62000.00      37.313       4.510      41.822   5.59 0.000 1.000 0.205 3.431     338.519     370.000       9.743   15 
-    320000       64000.00      40.309      -8.671      31.638   6.77 0.071 0.500 0.159 2.203     365.705     370.000      10.768   15 
-    330000       66000.00      39.691       5.551      45.242   5.56 0.071 0.667 0.152 1.332     360.095     370.000      10.202   15 
-    340000       68000.00      27.606      -4.434      23.172   6.67 0.000 1.000 0.309 1.378     250.456     370.000       7.521   15 
-    350000       70000.00      28.372      -1.990      26.383   5.40 0.143 0.333 0.152 2.234     257.408     370.000       9.168   15 
-    360000       72000.00      28.966      -0.693      28.273   4.64 0.143 0.333 0.167 2.024     262.792     370.000       8.995   15 
-    370000       74000.00      34.591       2.381      36.971   6.94 0.000 1.000 0.331 2.036     313.824     370.000       7.727   15 
-    380000       76000.00      38.999       3.152      42.151   4.99 0.071 0.667 0.182 1.061     353.818     370.000       8.743   15 
-    390000       78000.00      34.647      -6.846      27.801   6.49 0.000 1.000 0.182 1.984     314.336     370.000      10.273   15 
-    400000       80000.00      33.753      -2.499      31.254   8.46 0.143 0.000 0.159 1.632     306.221     370.000      12.702   15 
-    410000       82000.00      42.632      -1.921      40.711   4.62 0.071 0.800 0.191 3.522     386.784     360.000       8.143   15 
-    420000       84000.00      36.485     -11.624      24.861   6.50 0.143 0.750 0.330 1.050     331.015     360.000       7.241   15 
-    430000       86000.00      35.409     -17.523      17.886   4.55 0.214 0.000 0.333 1.613     321.250     360.000       8.469   15 
-    440000       88000.00      34.200      -8.367      25.834   6.89 0.071 0.667 0.242 1.682     310.284     360.000       8.739   15 
-    450000       90000.00      26.092      -2.923      23.169   5.22 0.000 1.000 0.636 1.713     236.718     360.000       8.816   15 
-    460000       92000.00      36.391      14.337      50.728   9.84 0.000   NaN   NaN 1.361     330.157     360.000      12.545   15 
-    470000       94000.00      37.240      -6.021      31.219   5.89 0.214 0.400 0.164 1.851     337.857     360.000       8.782   15 
-    480000       96000.00      37.142       0.934      38.076   8.22 0.071 0.500 0.182 1.824     336.971     360.000      10.832   15 
-    490000       98000.00      33.036     -11.691      21.345   6.66 0.071 0.750 0.364 1.806     299.724     360.000       8.852   15 
-    500000      100000.00      35.552     -12.207      23.345  10.78 0.071 0.500 0.159 1.936     322.542     360.000      14.627   15 
-    510000      102000.00      33.809     -10.332      23.477   5.74 0.143 0.500 0.148 2.101     306.735     350.000       8.487   15 
-    520000      104000.00      35.047     -19.264      15.782   4.64 0.143 0.667 0.258 1.788     317.960     350.000       7.417   15 
-    530000      106000.00      32.320      -3.234      29.086   5.42 0.071 0.857 0.292 2.427     293.222     350.000       7.440   15 
-    540000      108000.00      32.677       2.278      34.955   6.04 0.000 1.000 0.182 2.193     296.465     350.000       9.087   15 
-    550000      110000.00      42.297      -3.880      38.417   8.67 0.143 0.000 0.159 1.062     383.742     350.000      11.697   15 
-    560000      112000.00      30.507      -1.390      29.117  10.96 0.143 0.000 0.136 2.141     276.774     350.000      13.236   15 
-    570000      114000.00      39.860      -3.423      36.437   8.07 0.000 1.000 0.136 1.730     361.633     350.000      12.343   15 
-    580000      116000.00      30.856      -1.555      29.302   7.48 0.143 0.333 0.152 1.455     279.945     350.000      11.863   15 
-    590000      118000.00      41.133     -10.129      31.003   5.00 0.143 0.333 0.500 2.245     373.178     350.000       7.827   15 
-    600000      120000.00      33.052      -9.083      23.969   4.95 0.071 0.667 0.455 2.534     299.864     350.000       8.411   15 
-    610000      122000.00      32.450     -10.252      22.198   6.54 0.071 0.800 0.227 1.355     294.404     340.000       8.822   15 
-    620000      124000.00      36.795     -11.609      25.186   7.83 0.000 1.000 0.182 1.251     333.824     340.000      12.100   15 
-    630000      126000.00      38.638      -3.919      34.719   5.16 0.071 0.667 0.561 1.667     350.548     340.000       7.749   15 
-    640000      128000.00      38.657       0.746      39.402   8.18 0.071 0.667 0.182 1.095     350.714     340.000      12.371   15 
-    650000      130000.00      37.940     -26.495      11.445   4.56 0.143 0.800 0.386 1.111     344.208     340.000       7.251   15 
-    660000      132000.00      24.678     -15.114       9.564   3.60 0.357 0.444 0.192 1.934     223.891     340.000       8.023   15 
-    670000      134000.00      25.137      -8.240      16.897   5.80 0.000 1.000 0.355 1.525     228.058     340.000       8.462   15 
-    680000      136000.00      30.197      -2.010      28.187   5.42 0.071 0.800 0.473 3.238     273.962     340.000       8.551   15 
-    690000      138000.00      30.556     -18.711      11.845   5.91 0.143 0.750 0.295 1.962     277.220     340.000       8.078   15 
-    700000      140000.00      31.539      -2.001      29.538   4.74 0.071 0.750 0.273 2.050     286.142     340.000       8.749   15 
-    710000      142000.00      32.961      -6.548      26.412   6.17 0.143 0.667 0.318 1.476     299.035     380.000       8.114   15 
-    720000      144000.00      33.254       0.973      34.227   8.21 0.071 0.667 0.152 2.459     301.700     380.000      11.429   15 
-    730000      146000.00      44.902      -0.473      44.430   6.59 0.071 0.833 0.265 2.454     407.377     380.000       9.955   15 
-    740000      148000.00      47.071     -10.528      36.544   5.04 0.143 0.000 0.159 1.387     427.056     380.000       9.174   15 
-    750000      150000.00      32.923      -3.985      28.938   4.92 0.214 0.400 0.218 1.165     298.694     380.000       8.368   15 
-    760000      152000.00      31.677       2.188      33.865  11.57 0.071 0.000 0.182 1.565     287.389     380.000      14.504   15 
-    770000      154000.00      34.829       8.774      43.604   4.54 0.000 1.000 0.518 4.090     315.987     380.000       8.270   15 
-    780000      156000.00      43.997      -1.353      42.644   4.69 0.143 0.500 0.182 5.338     399.160     380.000       9.625   15 
-    790000      158000.00      32.124       2.076      34.200   9.35 0.286 0.200 0.155 2.233     291.446     380.000      11.695   15 
-    800000      160000.00      39.139       1.241      40.380   5.40 0.214 0.250 0.261 2.055     355.090     380.000       7.937   15 
-    810000      162000.00      29.212       8.487      37.699   8.92 0.071 0.000 0.182 1.224     265.025     370.000      11.716   15 
-    820000      164000.00      44.604      -0.232      44.372   8.90 0.071 0.000 0.136 2.085     404.675     370.000      11.062   15 
-    830000      166000.00      37.900      11.026      48.926   5.89 0.000 1.000 0.258 1.130     343.852     370.000       9.316   15 
-    840000      168000.00      36.695       1.202      37.897   6.10 0.000 1.000 0.364 2.956     332.917     370.000       8.357   15 
-    850000      170000.00      38.625      -4.026      34.600   6.17 0.143 0.500 0.170 1.764     350.427     370.000       8.286   15 
-    860000      172000.00      42.234      12.622      54.856   5.29 0.000 1.000 0.330 3.364     383.168     370.000       7.611   15 
-    870000      174000.00      39.366       2.736      42.102   5.09 0.071 0.500 0.159 0.674     357.152     370.000       9.150   15 
-    880000      176000.00      39.280      -3.187      36.093   5.29 0.143 0.500 0.409 2.125     356.373     370.000       7.925   15 
-    890000      178000.00      43.613     -13.320      30.293   8.01 0.071 0.800 0.227 2.075     395.680     370.000       8.908   15 
-    900000      180000.00      34.605     -11.733      22.872   5.97 0.214 0.571 0.266 1.264     313.958     370.000       8.057   15 
-    910000      182000.00      34.511     -12.969      21.543   7.46 0.071 0.800 0.209 1.200     313.102     360.000       8.829   15 
-    920000      184000.00      33.674      -0.188      33.486   8.31 0.214 0.400 0.200 1.501     305.505     360.000      10.577   15 
-    930000      186000.00      33.313     -17.366      15.947   6.25 0.143 0.667 0.364 1.747     302.232     360.000       7.273   15 
-    940000      188000.00      46.928       3.181      50.109   9.73 0.071 0.000 0.136 2.008     425.758     360.000      12.333   15 
-    950000      190000.00      36.611      -2.696      33.915   6.48 0.143 0.500 0.170 1.050     332.155     360.000       9.808   15 
-    960000      192000.00      41.055     -16.409      24.646   4.09 0.286 0.500 0.420 0.330     372.468     360.000       7.587   15 
-    970000      194000.00      31.455     -22.909       8.546   4.63 0.000 1.000 0.364 1.369     285.376     360.000       7.298   15 
-    980000      196000.00      39.090     -29.534       9.556   3.92 0.357 0.286 0.377 1.841     354.642     360.000       7.816   15 
-    990000      198000.00      37.581     -13.426      24.155  10.21 0.214 0.400 0.164 1.485     340.952     360.000      13.547   15 
-   1000000      200000.00      35.402     -12.254      23.148   5.81 0.143 0.714 0.390 1.559     321.185     360.000       7.515   15