Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Langevin / ff_gab / 1L2Y_REMD_GB007.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat b/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat
deleted file mode 100644 (file)
index 353a8ff..0000000
--- a/examples/unres/new/REMD/Langevin/ff_gab/1L2Y_REMD_GB007.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      39.801      24.717      64.518  12.87 0.000   NaN   NaN 0.706     361.091     320.000      15.552    7 
-     10000        2000.00      38.357      -6.180      32.178  11.22 0.000 1.000 0.136 2.037     347.998     320.000      14.285    7 
-     20000        4000.00      30.906       5.486      36.392   9.48 0.000   NaN   NaN 2.400     280.392     320.000      13.172    7 
-     30000        6000.00      32.747      -8.874      23.873  10.71 0.000 1.000 0.182 0.862     297.094     320.000      13.967    7 
-     40000        8000.00      41.660     -19.778      21.882  10.54 0.071 0.667 0.227 2.818     377.961     320.000      13.460    7 
-     50000       10000.00      36.384     -13.652      22.732   8.23 0.000 1.000 0.250 1.018     330.094     320.000      12.089    7 
-     60000       12000.00      43.035      -8.070      34.965   9.74 0.000   NaN   NaN 1.981     390.434     320.000      12.905    7 
-     70000       14000.00      46.668      10.851      57.519   9.49 0.000 1.000 0.273 1.278     423.396     320.000      13.560    7 
-     80000       16000.00      36.343     -14.529      21.814  11.11 0.071 0.000 0.136 1.905     329.723     320.000      14.366    7 
-     90000       18000.00      43.453     -12.919      30.534  12.83 0.000   NaN   NaN 1.274     394.225     320.000      17.209    7 
-    100000       20000.00      27.536      -3.954      23.581  12.67 0.000   NaN   NaN 2.915     249.817     320.000      16.201    7 
-    110000       22000.00      44.450      10.670      55.121  11.23 0.000   NaN   NaN 2.796     403.277     400.000      14.901    7 
-    120000       24000.00      42.140       3.178      45.317   8.73 0.214 0.250 0.170 1.059     382.312     400.000      12.136    7 
-    130000       26000.00      47.658       6.996      54.654   8.04 0.071 0.500 0.136 2.262     432.379     400.000      11.787    7 
-    140000       28000.00      45.450       2.447      47.897   9.51 0.000 1.000 0.227 1.330     412.343     400.000      13.157    7 
-    150000       30000.00      60.048      -2.110      57.938  10.52 0.000 1.000 0.182 1.277     544.784     400.000      13.396    7 
-    160000       32000.00      48.385       2.529      50.914   9.62 0.071 0.000 0.136 1.621     438.972     400.000      12.654    7 
-    170000       34000.00      51.650       0.904      52.554  10.92 0.000   NaN   NaN 3.446     468.598     400.000      14.507    7 
-    180000       36000.00      39.782      -3.357      36.425   9.86 0.000 1.000 0.227 2.126     360.924     400.000      12.465    7 
-    190000       38000.00      48.097       5.637      53.734  10.78 0.071 0.500 0.159 2.323     436.360     400.000      13.697    7 
-    200000       40000.00      43.585       2.113      45.699   8.45 0.000   NaN   NaN 1.566     395.428     400.000      13.324    7 
-    210000       42000.00      51.602      15.362      66.964   7.62 0.000   NaN   NaN 2.378     468.159     390.000      11.061    7 
-    220000       44000.00      59.622      15.084      74.706   6.61 0.000   NaN   NaN 1.695     540.919     390.000      11.544    7 
-    230000       46000.00      46.012       7.082      53.094   5.60 0.000 1.000 0.341 1.844     417.448     390.000       9.652    7 
-    240000       48000.00      48.368       9.249      57.616   6.37 0.000   NaN   NaN 4.305     438.817     390.000      10.041    7 
-    250000       50000.00      48.046      -0.052      47.994   5.89 0.000 1.000 0.273 2.143     435.895     390.000       9.739    7 
-    260000       52000.00      44.353       4.627      48.980   4.95 0.071 0.800 0.527 1.326     402.390     390.000       8.076    7 
-    270000       54000.00      44.126       8.708      52.834   5.62 0.071 0.000 0.545 1.832     400.332     390.000       9.890    7 
-    280000       56000.00      33.879       1.687      35.566   4.80 0.071 0.667 0.500 2.049     307.365     390.000       8.478    7 
-    290000       58000.00      46.575     -11.615      34.960   4.26 0.214 0.500 0.311 2.883     422.549     390.000       8.403    7 
-    300000       60000.00      40.242       6.726      46.968   8.21 0.071 0.750 0.193 4.848     365.098     390.000      12.587    7 
-    310000       62000.00      47.548       3.002      50.550   9.77 0.000   NaN   NaN 1.040     431.376     380.000      13.124    7 
-    320000       64000.00      51.223      -2.361      48.862   8.17 0.143 0.333 0.182 2.438     464.718     380.000      11.546    7 
-    330000       66000.00      52.649       7.360      60.009   7.56 0.071 0.000 0.182 2.753     477.659     380.000      11.984    7 
-    340000       68000.00      51.300       9.446      60.746   6.60 0.143 0.600 0.191 1.767     465.417     380.000      10.165    7 
-    350000       70000.00      42.242      -0.652      41.590   6.61 0.000   NaN   NaN 1.993     383.244     380.000      11.408    7 
-    360000       72000.00      52.395      -3.152      49.244   7.29 0.071 0.750 0.205 2.183     475.358     380.000      11.302    7 
-    370000       74000.00      42.082      11.660      53.742   6.10 0.000 1.000 0.379 2.069     381.789     380.000       9.733    7 
-    380000       76000.00      42.271      -2.956      39.315   6.49 0.071 0.833 0.303 3.661     383.505     380.000       8.997    7 
-    390000       78000.00      38.231      -0.919      37.312   6.18 0.143 0.714 0.344 3.232     346.851     380.000       7.761    7 
-    400000       80000.00      36.046       3.362      39.408   6.25 0.071 0.667 0.303 2.587     327.024     380.000       7.938    7 
-    410000       82000.00      36.672     -10.738      25.933   5.94 0.071 0.500 0.500 2.552     332.705     370.000       8.668    7 
-    420000       84000.00      32.803     -10.679      22.124   6.52 0.000 1.000 0.455 2.334     297.605     370.000       9.960    7 
-    430000       86000.00      46.656      -3.512      43.143   5.13 0.071 0.000 0.136 1.277     423.284     370.000       9.255    7 
-    440000       88000.00      35.515      -1.567      33.948   4.92 0.071 0.500 0.182 1.163     322.208     370.000       9.729    7 
-    450000       90000.00      44.022      -0.243      43.780  10.65 0.071 0.667 0.227 2.861     399.394     370.000      13.318    7 
-    460000       92000.00      37.481       8.606      46.087   7.90 0.071 0.667 0.227 1.947     340.045     370.000      10.480    7 
-    470000       94000.00      41.601       0.201      41.802   8.82 0.000   NaN   NaN 0.872     377.426     370.000      11.178    7 
-    480000       96000.00      52.611      14.801      67.412  10.59 0.071 0.667 0.182 2.079     477.315     370.000      13.519    7 
-    490000       98000.00      47.514       0.362      47.876   9.70 0.071 0.000 0.182 1.938     431.075     370.000      12.793    7 
-    500000      100000.00      52.736      10.484      63.220   8.34 0.000 1.000 0.182 1.981     478.450     370.000      11.941    7 
-    510000      102000.00      48.888       0.531      49.419   6.41 0.000 1.000 0.136 1.187     443.536     360.000      10.715    7 
-    520000      104000.00      44.124      -8.167      35.958   6.04 0.000   NaN   NaN 1.519     400.320     360.000       9.491    7 
-    530000      106000.00      37.945     -12.808      25.137   6.58 0.143 0.750 0.369 3.197     344.256     360.000       7.796    7 
-    540000      108000.00      30.126     -16.162      13.964   6.26 0.143 0.778 0.439 0.980     273.318     360.000       7.063    7 
-    550000      110000.00      40.652     -12.963      27.689   5.57 0.143 0.600 0.191 1.299     368.816     360.000       7.744    7 
-    560000      112000.00      40.123     -11.280      28.843   5.04 0.143 0.800 0.368 4.025     364.018     360.000       7.258    7 
-    570000      114000.00      34.645     -17.794      16.851   4.72 0.071 0.833 0.288 2.250     314.318     360.000       8.475    7 
-    580000      116000.00      41.359     -11.174      30.184   4.38 0.071 0.857 0.442 1.446     375.226     360.000       7.538    7 
-    590000      118000.00      43.872      -1.592      42.281   5.93 0.000 1.000 0.614 2.062     398.034     360.000       9.436    7 
-    600000      120000.00      36.309     -16.821      19.488   7.97 0.000 1.000 0.209 3.490     329.417     360.000      11.150    7 
-    610000      122000.00      46.714     -18.503      28.210   5.75 0.071 0.875 0.438 1.043     423.810     350.000       8.714    7 
-    620000      124000.00      45.764     -14.970      30.794   5.03 0.143 0.333 0.167 1.169     415.194     350.000       8.012    7 
-    630000      126000.00      45.530       1.696      47.226   5.32 0.000 1.000 0.216 2.670     413.070     350.000       8.803    7 
-    640000      128000.00      33.524      -8.032      25.492   8.35 0.143 0.000 0.159 1.812     304.149     350.000      12.766    7 
-    650000      130000.00      41.350      -1.655      39.695   7.59 0.071 0.000 0.136 0.815     375.147     350.000       8.461    7 
-    660000      132000.00      34.042     -14.136      19.906   5.87 0.286 0.556 0.182 2.618     308.848     350.000       7.653    7 
-    670000      134000.00      34.390     -28.185       6.205   5.03 0.214 0.571 0.305 2.075     312.002     350.000       7.607    7 
-    680000      136000.00      39.170     -15.395      23.775   5.59 0.071 0.667 0.212 2.379     355.370     350.000       8.865    7 
-    690000      138000.00      42.162     -14.345      27.817   5.66 0.071 0.500 0.182 2.039     382.514     350.000       9.517    7 
-    700000      140000.00      50.961      -0.236      50.725   7.89 0.071 0.000 0.136 3.462     462.346     350.000      12.518    7 
-    710000      142000.00      33.498     -14.547      18.951  11.13 0.071 0.000 0.136 2.257     303.911     340.000      15.286    7 
-    720000      144000.00      39.479      -7.463      32.015  11.09 0.000   NaN   NaN 1.685     358.171     340.000      15.492    7 
-    730000      146000.00      34.333      -3.078      31.255  11.25 0.000   NaN   NaN 1.701     311.486     340.000      15.542    7 
-    740000      148000.00      37.793      -2.021      35.772  10.35 0.000   NaN   NaN 1.745     342.878     340.000      14.329    7 
-    750000      150000.00      37.350      -6.078      31.272   7.73 0.071 0.750 0.170 3.012     338.856     340.000      11.479    7 
-    760000      152000.00      43.634      -4.702      38.932   6.03 0.071 0.750 0.170 2.586     395.872     340.000       8.940    7 
-    770000      154000.00      38.907      -4.346      34.562   5.39 0.143 0.667 0.182 2.674     352.987     340.000       9.041    7 
-    780000      156000.00      32.786      -7.621      25.165   9.53 0.071 0.000 0.182 3.120     297.455     340.000      12.758    7 
-    790000      158000.00      30.410     -17.480      12.929   9.37 0.000 1.000 0.205 0.801     275.892     340.000      12.678    7 
-    800000      160000.00      43.906       6.825      50.731  10.38 0.000   NaN   NaN 2.027     398.339     340.000      13.937    7 
-    810000      162000.00      39.756       2.160      41.916  11.89 0.143 0.000 0.159 1.292     360.687     400.000      15.193    7 
-    820000      164000.00      55.187      18.835      74.022   8.82 0.071 0.500 0.182 1.762     500.685     400.000      12.542    7 
-    830000      166000.00      42.628      -1.354      41.274  10.14 0.143 0.000 0.159 1.684     386.740     400.000      12.815    7 
-    840000      168000.00      41.056      13.841      54.897  11.24 0.143 0.000 0.159 2.476     372.482     400.000      14.205    7 
-    850000      170000.00      53.054       7.251      60.305   9.66 0.000 1.000 0.182 2.164     481.330     400.000      13.645    7 
-    860000      172000.00      53.755       9.069      62.824  12.51 0.000   NaN   NaN 2.348     487.696     400.000      16.026    7 
-    870000      174000.00      34.003      -9.676      24.327   8.20 0.143 0.500 0.170 2.352     308.494     400.000      12.303    7 
-    880000      176000.00      44.342      -0.284      44.057   8.90 0.000   NaN   NaN 2.429     402.293     400.000      11.571    7 
-    890000      178000.00      39.846       3.982      43.829   8.64 0.071 0.000 0.182 2.287     361.506     400.000      13.152    7 
-    900000      180000.00      40.099       9.120      49.219   6.64 0.000 1.000 0.258 3.112     363.800     400.000       9.142    7 
-    910000      182000.00      39.000       7.486      46.486   7.20 0.000 1.000 0.136 1.273     353.831     390.000      11.067    7 
-    920000      184000.00      60.323      12.978      73.301   5.64 0.214 0.250 0.159 1.926     547.281     390.000      10.368    7 
-    930000      186000.00      42.004       7.784      49.788   6.96 0.143 0.000 0.182 5.481     381.086     390.000      11.731    7 
-    940000      188000.00      40.761       3.065      43.825   5.49 0.071 0.667 0.152 1.855     369.801     390.000       9.673    7 
-    950000      190000.00      45.979     -10.070      35.909   4.01 0.214 0.250 0.420 1.975     417.148     390.000       8.729    7 
-    960000      192000.00      39.128      -3.239      35.889   4.48 0.000 1.000 0.182 1.925     354.988     390.000       9.551    7 
-    970000      194000.00      47.643      -6.811      40.831   4.32 0.071 0.800 0.409 2.992     432.239     390.000       8.095    7 
-    980000      196000.00      44.534      12.074      56.608   4.48 0.143 0.667 0.485 2.528     404.038     390.000       8.584    7 
-    990000      198000.00      59.163      -1.699      57.464   5.58 0.000   NaN   NaN 1.001     536.756     390.000      10.595    7 
-   1000000      200000.00      47.523      -0.326      47.197   6.09 0.000 1.000 0.136 2.795     431.155     390.000      10.915    7