Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Berendsen / ff_gab / 1L2Y_REMD_GB010.stat

diff --git a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
deleted file mode 100644 (file)
index 0e309a8..0000000
--- a/examples/unres/new/REMD/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.911      24.593      65.504  12.87 0.000   NaN   NaN 0.708     371.162     350.000      15.552   10 
-     10000        2000.00      33.370      -6.449      26.921   4.83 0.357 0.286 0.409 1.391     302.752     350.000       8.498   10 
-     20000        4000.00      32.778     -17.298      15.480   5.32 0.071 0.750 0.148 2.202     297.383     350.000       9.461   10 
-     30000        6000.00      37.556     -18.254      19.303   4.95 0.143 0.000 0.159 1.541     340.730     350.000       9.089   10 
-     40000        8000.00      28.268      -6.500      21.768   7.88 0.071 0.000 0.182 2.626     256.465     350.000      12.092   10 
-     50000       10000.00      33.819      -8.953      24.866   5.74 0.000 1.000 0.818 1.960     306.821     350.000       9.238   10 
-     60000       12000.00      33.152      -0.790      32.362   7.11 0.071 0.667 0.182 2.011     300.771     350.000       9.888   10 
-     70000       14000.00      36.117       6.675      42.792   5.03 0.071 0.667 0.258 2.558     327.671     350.000       8.163   10 
-     80000       16000.00      33.921     -14.630      19.292   4.72 0.071 0.917 0.417 1.404     307.753     350.000       7.768   10 
-     90000       18000.00      31.873     -11.364      20.508   7.97 0.071 0.667 0.136 1.286     289.164     350.000      11.243   10 
-    100000       20000.00      28.609       3.032      31.640   6.70 0.071 0.800 0.236 2.162     259.551     350.000       8.768   10 
-    110000       22000.00      30.981       2.817      33.798   6.59 0.071 0.000 0.136 1.472     281.078     400.000       9.834   10 
-    120000       24000.00      37.997      15.497      53.494   5.84 0.000 1.000 0.136 2.844     344.732     400.000       8.893   10 
-    130000       26000.00      35.282       8.790      44.072   6.03 0.000 1.000 0.318 1.653     320.095     400.000       9.274   10 
-    140000       28000.00      42.506       4.748      47.254   5.77 0.000 1.000 0.773 1.510     385.634     400.000      10.522   10 
-    150000       30000.00      34.674       3.295      37.969   7.08 0.000   NaN   NaN 4.730     314.576     400.000      11.213   10 
-    160000       32000.00      40.445       2.465      42.910   5.48 0.071 0.800 0.327 2.742     366.940     400.000       8.966   10 
-    170000       34000.00      38.075      -7.159      30.916   4.18 0.071 0.500 0.477 1.432     345.438     400.000       9.023   10 
-    180000       36000.00      37.296      -1.658      35.639   7.59 0.071 0.000 0.136 1.632     338.371     400.000      11.313   10 
-    190000       38000.00      35.842       8.683      44.525  10.00 0.000   NaN   NaN 1.816     325.176     400.000      12.965   10 
-    200000       40000.00      36.608      -4.297      32.311   5.17 0.143 0.500 0.352 1.416     332.130     400.000       8.953   10 
-    210000       42000.00      42.777       4.403      47.181   7.53 0.000 1.000 0.227 1.258     388.096     390.000      11.677   10 
-    220000       44000.00      40.561       3.828      44.389   7.52 0.000 1.000 0.273 1.342     367.994     390.000      11.318   10 
-    230000       46000.00      43.350       3.087      46.437   6.64 0.000 1.000 0.227 2.403     393.292     390.000      10.459   10 
-    240000       48000.00      36.626      -4.050      32.576   5.84 0.000 1.000 0.182 1.901     332.290     390.000       9.602   10 
-    250000       50000.00      38.306      -4.841      33.465   6.26 0.071 0.000 0.182 0.988     347.532     390.000       9.856   10 
-    260000       52000.00      37.154      -2.935      34.219  11.70 0.000   NaN   NaN 2.225     337.079     390.000      15.650   10 
-    270000       54000.00      36.513      -1.475      35.037   5.24 0.000 1.000 0.136 1.717     331.263     390.000       8.992   10 
-    280000       56000.00      39.517     -10.405      29.112   6.30 0.071 0.875 0.477 1.792     358.516     390.000       7.446   10 
-    290000       58000.00      44.776       8.194      52.970   8.64 0.000   NaN   NaN 2.649     406.234     390.000      13.162   10 
-    300000       60000.00      35.783      -5.410      30.373   4.34 0.071 0.800 0.318 2.948     324.641     390.000       8.674   10 
-    310000       62000.00      38.003       6.338      44.342  11.07 0.000   NaN   NaN 1.941     344.787     380.000      14.213   10 
-    320000       64000.00      40.460      -6.665      33.795   6.92 0.143 0.333 0.197 1.760     367.073     380.000      10.330   10 
-    330000       66000.00      51.958      13.450      65.408   6.36 0.000   NaN   NaN 3.393     471.391     380.000       9.963   10 
-    340000       68000.00      34.881      -9.472      25.409   7.24 0.071 0.800 0.209 2.642     316.457     380.000       8.708   10 
-    350000       70000.00      37.554       2.327      39.881   4.42 0.071 0.500 0.136 1.859     340.710     380.000       9.646   10 
-    360000       72000.00      36.030       0.085      36.115   7.15 0.000   NaN   NaN 2.709     326.885     380.000      11.704   10 
-    370000       74000.00      38.496       7.391      45.886   9.03 0.000   NaN   NaN 1.796     349.252     380.000      12.687   10 
-    380000       76000.00      37.155     -15.702      21.452   6.80 0.143 0.667 0.379 2.037     337.087     380.000       7.575   10 
-    390000       78000.00      43.989      -4.173      39.817   7.02 0.071 0.875 0.375 2.674     399.093     380.000       7.959   10 
-    400000       80000.00      36.381       4.395      40.776   9.00 0.000   NaN   NaN 1.797     330.068     380.000      12.967   10 
-    410000       82000.00      43.832      -6.559      37.274   6.11 0.000 1.000 0.341 1.351     397.669     400.000      10.134   10 
-    420000       84000.00      47.570       4.997      52.567   7.27 0.000   NaN   NaN 1.203     431.582     400.000      11.120   10 
-    430000       86000.00      37.735       0.458      38.192   5.66 0.071 0.833 0.341 1.324     342.348     400.000       7.287   10 
-    440000       88000.00      37.503      12.151      49.653   5.56 0.071 0.667 0.303 1.553     340.242     400.000       8.601   10 
-    450000       90000.00      31.394      13.819      45.213  10.70 0.071 0.500 0.136 1.157     284.819     400.000      13.687   10 
-    460000       92000.00      35.945       5.253      41.198   5.75 0.000 1.000 0.530 1.861     326.112     400.000       9.640   10 
-    470000       94000.00      34.083       4.427      38.510   7.51 0.071 0.500 0.227 2.705     309.220     400.000      11.601   10 
-    480000       96000.00      52.316       6.296      58.613   8.31 0.071 0.000 0.136 1.891     474.641     400.000      12.839   10 
-    490000       98000.00      38.415      -2.494      35.921   7.54 0.000   NaN   NaN 1.909     348.525     400.000      11.418   10 
-    500000      100000.00      39.402       9.272      48.675   7.98 0.143 0.000 0.136 1.506     357.476     400.000      12.347   10 
-    510000      102000.00      38.338      -2.030      36.309   5.15 0.000   NaN   NaN 1.660     347.825     390.000      10.074   10 
-    520000      104000.00      39.754      10.336      50.090   6.49 0.071 0.750 0.250 1.308     360.673     390.000       8.499   10 
-    530000      106000.00      39.354       7.236      46.590   7.64 0.000 1.000 0.136 2.743     357.042     390.000       9.913   10 
-    540000      108000.00      39.483      -3.328      36.155   5.60 0.143 0.600 0.318 1.882     358.209     390.000       7.406   10 
-    550000      110000.00      38.591      -4.331      34.260   8.42 0.000 1.000 0.264 2.101     350.117     390.000       9.983   10 
-    560000      112000.00      32.990       0.513      33.503   9.46 0.000 1.000 0.182 2.088     299.303     390.000      13.092   10 
-    570000      114000.00      34.825       3.301      38.126   7.77 0.000 1.000 0.136 3.096     315.949     390.000      11.787   10 
-    580000      116000.00      23.560       1.378      24.938   5.83 0.071 0.875 0.449 1.085     213.751     390.000       7.899   10 
-    590000      118000.00      41.687      -0.231      41.455   8.64 0.000 1.000 0.205 1.113     378.204     390.000      11.921   10 
-    600000      120000.00      34.399      -9.760      24.639   6.33 0.000 1.000 0.250 1.582     312.082     390.000       7.730   10 
-    610000      122000.00      50.787       5.865      56.652   6.38 0.071 0.667 0.409 1.744     460.762     380.000       8.553   10 
-    620000      124000.00      39.985      -3.011      36.974   6.25 0.071 0.667 0.167 0.789     362.769     380.000       9.541   10 
-    630000      126000.00      41.284      -0.441      40.844  11.46 0.000   NaN   NaN 1.149     374.552     380.000      14.704   10 
-    640000      128000.00      36.479       1.148      37.627   8.04 0.071 0.000 0.182 1.902     330.959     380.000      11.538   10 
-    650000      130000.00      37.294       2.109      39.403   6.40 0.214 0.250 0.170 1.573     338.347     380.000      10.616   10 
-    660000      132000.00      39.611      -2.088      37.523   6.24 0.143 0.333 0.242 2.214     359.369     380.000       9.924   10 
-    670000      134000.00      31.018       6.549      37.567  10.20 0.000 1.000 0.136 1.138     281.409     380.000      13.999   10 
-    680000      136000.00      37.711       3.990      41.702   6.92 0.000 1.000 0.136 3.167     342.138     380.000      11.407   10 
-    690000      138000.00      36.798       3.345      40.143   8.72 0.071 0.500 0.205 2.131     333.852     380.000      10.235   10 
-    700000      140000.00      49.302      -0.271      49.031   4.52 0.143 0.750 0.335 1.592     447.295     380.000       7.674   10 
-    710000      142000.00      35.633      -3.257      32.376   7.07 0.000   NaN   NaN 1.682     323.278     370.000       9.272   10 
-    720000      144000.00      28.790      -3.009      25.782   8.11 0.071 0.000 0.136 2.419     261.200     370.000      12.506   10 
-    730000      146000.00      43.301      -3.002      40.299   5.93 0.071 0.000 0.136 3.258     392.851     370.000       9.279   10 
-    740000      148000.00      46.787       5.097      51.884   6.57 0.000   NaN   NaN 2.187     424.478     370.000      11.172   10 
-    750000      150000.00      37.193       2.569      39.763   5.56 0.071 0.500 0.273 2.212     337.437     370.000       9.024   10 
-    760000      152000.00      36.436       0.448      36.884   5.86 0.071 0.667 0.636 2.877     330.566     370.000       8.663   10 
-    770000      154000.00      35.834       2.730      38.564  10.57 0.143 0.333 0.167 2.177     325.106     370.000      13.140   10 
-    780000      156000.00      45.937       5.383      51.320   5.67 0.143 0.333 0.258 2.822     416.762     370.000       9.955   10 
-    790000      158000.00      30.566      -2.797      27.769   6.44 0.071 0.667 0.394 2.701     277.310     370.000       7.883   10 
-    800000      160000.00      33.918       1.521      35.439   6.59 0.000 1.000 0.409 2.852     307.722     370.000       9.991   10 
-    810000      162000.00      36.948       8.630      45.578   7.26 0.000 1.000 0.212 3.286     335.215     390.000       8.788   10 
-    820000      164000.00      38.577      12.024      50.601   4.82 0.071 0.750 0.557 2.079     349.995     390.000       7.971   10 
-    830000      166000.00      36.643       1.388      38.032   9.85 0.000 1.000 0.182 1.445     332.448     390.000      13.248   10 
-    840000      168000.00      38.750       0.323      39.073   6.52 0.000   NaN   NaN 2.680     351.561     390.000       8.497   10 
-    850000      170000.00      29.413       4.521      33.934   5.67 0.000 1.000 0.409 2.634     266.852     390.000      10.344   10 
-    860000      172000.00      35.261       8.531      43.793  10.27 0.071 0.000 0.136 1.652     319.908     390.000      13.289   10 
-    870000      174000.00      36.095      -5.492      30.603   6.96 0.000   NaN   NaN 1.578     327.475     390.000      12.112   10 
-    880000      176000.00      36.975      -1.730      35.245   7.27 0.071 0.500 0.159 1.592     335.457     390.000      11.210   10 
-    890000      178000.00      28.667      11.473      40.140   5.92 0.000   NaN   NaN 3.781     260.083     390.000       9.272   10 
-    900000      180000.00      32.640      -2.332      30.309   7.63 0.000   NaN   NaN 1.064     296.129     390.000      11.876   10 
-    910000      182000.00      28.315     -19.661       8.654   5.75 0.214 0.667 0.318 2.474     256.892     380.000       7.468   10 
-    920000      184000.00      37.745      -5.996      31.749   5.62 0.143 0.600 0.536 3.284     342.441     380.000       8.169   10 
-    930000      186000.00      47.344      -9.414      37.930   7.10 0.071 0.750 0.239 2.543     429.530     380.000       9.102   10 
-    940000      188000.00      36.624      -2.760      33.864   7.18 0.000 1.000 0.182 1.240     332.271     380.000      10.003   10 
-    950000      190000.00      34.382      -5.683      28.699   6.02 0.143 0.333 0.136 0.634     311.930     380.000       9.272   10 
-    960000      192000.00      35.553       5.004      40.557   9.91 0.071 0.000 0.136 1.019     322.559     380.000      13.283   10 
-    970000      194000.00      40.803      -8.926      31.877   8.68 0.000 1.000 0.205 1.764     370.188     380.000      11.649   10 
-    980000      196000.00      35.636      15.182      50.818   7.94 0.000 1.000 0.182 3.245     323.309     380.000      11.634   10 
-    990000      198000.00      35.112      -3.502      31.610   7.48 0.071 0.667 0.212 1.650     318.550     380.000      10.781   10 
-   1000000      200000.00      36.190     -12.229      23.960   6.47 0.071 0.667 0.470 2.261     328.331     380.000       7.964   10