Merge branch 'prerelease-3.2.1' into czarek

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

diff --git a/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB014.stat b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB014.stat
new file mode 100644 (file)
index 0000000..09a1c86
--- /dev/null
+++ b/examples/unres/REMD/Berendsen/ff_1l2y/outputs/1L2Y_REMD_GB014.stat
@@ -0,0 +1,101 @@
+         0           0.00      53.926     112.507     166.433  12.87 0.000   NaN   NaN 4.850     489.243     390.000      15.552   14 
+     10000        2000.00      37.876      11.816      49.692   5.42 0.071 0.800 0.209 0.539     343.628     390.000       9.457   14 
+     20000        4000.00      41.460       6.027      47.486   6.53 0.000 1.000 0.250 1.090     376.143     390.000       9.223   14 
+     30000        6000.00      39.700      21.443      61.143   5.94 0.071 0.000 0.136 0.521     360.182     390.000      10.185   14 
+     40000        8000.00      37.775      16.352      54.127   5.20 0.000 1.000 0.523 0.904     342.712     390.000       8.534   14 
+     50000       10000.00      44.356       7.436      51.791   5.47 0.071 0.750 0.500 0.688     402.418     390.000       9.054   14 
+     60000       12000.00      43.013       7.648      50.661   6.23 0.143 0.600 0.155 0.397     390.236     390.000      10.282   14 
+     70000       14000.00      34.213      14.027      48.239  10.54 0.000 1.000 0.182 0.340     310.396     390.000      13.921   14 
+     80000       16000.00      36.880       9.155      46.035  11.14 0.071 0.667 0.136 0.564     334.591     390.000      15.156   14 
+     90000       18000.00      40.044      15.683      55.726   6.00 0.071 0.667 0.227 1.189     363.299     390.000       9.420   14 
+    100000       20000.00      47.248       2.560      49.808   6.05 0.071 0.800 0.373 0.521     428.654     390.000       7.441   14 
+    110000       22000.00      38.419      19.399      57.818   5.55 0.071 0.500 0.341 0.776     348.555     400.000       9.067   14 
+    120000       24000.00      40.800      14.701      55.501   5.43 0.000 1.000 0.197 0.360     370.158     400.000       8.857   14 
+    130000       26000.00      52.377      14.634      67.011   5.09 0.000   NaN   NaN 0.408     475.195     400.000       9.795   14 
+    140000       28000.00      38.658      20.089      58.747   8.63 0.000 1.000 0.152 0.551     350.724     400.000      12.014   14 
+    150000       30000.00      40.829       8.805      49.633   5.38 0.143 0.714 0.305 0.471     370.421     400.000       7.430   14 
+    160000       32000.00      43.020       9.001      52.021  10.96 0.000   NaN   NaN 0.348     390.297     400.000      14.054   14 
+    170000       34000.00      37.352       7.774      45.126   5.62 0.143 0.667 0.197 0.532     338.873     400.000       8.884   14 
+    180000       36000.00      35.377      -2.017      33.360   7.31 0.214 0.727 0.306 0.597     320.957     400.000       7.261   14 
+    190000       38000.00      41.099       6.884      47.982   5.14 0.071 0.833 0.341 0.660     372.867     400.000       7.484   14 
+    200000       40000.00      41.502       8.595      50.096   5.52 0.071 0.667 0.227 0.229     376.524     400.000      10.260   14 
+    210000       42000.00      56.196      16.985      73.181   5.65 0.071 0.833 0.356 0.298     509.837     390.000       8.904   14 
+    220000       44000.00      38.654      11.517      50.170   7.39 0.000 1.000 0.227 0.551     350.686     390.000      10.870   14 
+    230000       46000.00      28.691      12.791      41.481   4.93 0.071 0.750 0.284 0.632     260.297     390.000       9.046   14 
+    240000       48000.00      45.465       6.222      51.687   6.57 0.000 1.000 0.279 0.589     412.486     390.000       8.439   14 
+    250000       50000.00      46.985       2.158      49.142   7.15 0.071 0.667 0.152 0.853     426.268     390.000       9.523   14 
+    260000       52000.00      35.572      11.971      47.543   6.22 0.143 0.600 0.191 0.563     322.728     390.000       9.573   14 
+    270000       54000.00      39.574      19.206      58.780   4.76 0.143 0.600 0.327 0.537     359.035     390.000       7.846   14 
+    280000       56000.00      46.620      31.006      77.626   5.41 0.000 1.000 0.291 0.516     422.959     390.000       7.805   14 
+    290000       58000.00      37.182      15.918      53.101   7.26 0.071 0.500 0.205 0.521     337.338     390.000      10.362   14 
+    300000       60000.00      37.679      16.468      54.146   9.39 0.071 0.500 0.136 0.649     341.839     390.000      12.990   14 
+    310000       62000.00      43.665       9.024      52.689   8.17 0.000 1.000 0.136 0.612     396.148     400.000      11.758   14 
+    320000       64000.00      28.072      12.395      40.467   6.76 0.071 0.750 0.432 1.169     254.684     400.000       7.856   14 
+    330000       66000.00      31.439      20.129      51.568   5.80 0.214 0.250 0.148 0.297     285.234     400.000       9.344   14 
+    340000       68000.00      39.286       4.946      44.232   7.27 0.071 0.750 0.193 0.453     356.419     400.000      10.637   14 
+    350000       70000.00      43.890       9.553      53.444   5.51 0.000 1.000 0.227 0.587     398.194     400.000       8.428   14 
+    360000       72000.00      42.718      14.158      56.876   7.03 0.000 1.000 0.273 1.008     387.557     400.000      10.475   14 
+    370000       74000.00      38.528       7.222      45.750   7.07 0.000 1.000 0.159 0.667     349.549     400.000      10.208   14 
+    380000       76000.00      38.662      13.930      52.592   6.52 0.071 0.667 0.152 0.278     350.760     400.000       9.997   14 
+    390000       78000.00      36.788      12.691      49.479   8.90 0.000 1.000 0.136 0.169     333.762     400.000      13.291   14 
+    400000       80000.00      44.551      24.277      68.827   4.58 0.071 0.833 0.242 0.294     404.185     400.000       7.644   14 
+    410000       82000.00      35.980      11.038      47.019   4.95 0.071 0.667 0.515 0.519     326.433     390.000       7.920   14 
+    420000       84000.00      33.573       3.675      37.248   6.92 0.143 0.818 0.248 0.615     304.588     390.000       8.410   14 
+    430000       86000.00      38.936       1.626      40.562   4.79 0.071 0.667 0.333 0.179     353.247     390.000       8.367   14 
+    440000       88000.00      43.252       8.932      52.184   6.15 0.071 0.000 0.182 0.584     392.406     390.000       9.509   14 
+    450000       90000.00      39.382       9.527      48.909   5.07 0.143 0.333 0.182 0.630     357.297     390.000       9.339   14 
+    460000       92000.00      44.261       9.216      53.477   5.42 0.143 0.600 0.291 0.286     401.556     390.000       9.188   14 
+    470000       94000.00      41.755      16.988      58.743   5.54 0.000 1.000 0.250 0.871     378.827     390.000       8.343   14 
+    480000       96000.00      41.736      11.035      52.771   6.42 0.000 1.000 0.136 1.197     378.648     390.000       9.645   14 
+    490000       98000.00      39.045      10.882      49.927   6.34 0.071 0.857 0.364 0.176     354.235     390.000       7.366   14 
+    500000      100000.00      48.775      -1.789      46.986   3.82 0.143 0.500 0.182 0.568     442.513     390.000       7.803   14 
+    510000      102000.00      44.865      14.091      58.957   5.89 0.071 0.667 0.364 0.484     407.043     380.000       7.660   14 
+    520000      104000.00      44.861       0.685      45.546   5.90 0.143 0.600 0.400 0.304     407.003     380.000       7.338   14 
+    530000      106000.00      39.074      12.760      51.834   5.51 0.000 1.000 0.227 1.041     354.502     380.000       7.598   14 
+    540000      108000.00      37.357      -1.913      35.444   5.50 0.143 0.750 0.290 0.714     338.921     380.000       7.629   14 
+    550000      110000.00      34.041       1.031      35.073   5.66 0.000 1.000 0.205 1.098     308.840     380.000       8.610   14 
+    560000      112000.00      44.236       9.561      53.797   5.11 0.143 0.500 0.261 1.515     401.329     380.000       7.895   14 
+    570000      114000.00      47.755       7.564      55.319   4.87 0.000 1.000 0.324 0.294     433.254     380.000       8.513   14 
+    580000      116000.00      32.387      11.182      43.569   7.10 0.143 0.818 0.405 0.280     293.830     380.000       7.382   14 
+    590000      118000.00      34.317       3.354      37.671   4.63 0.143 0.667 0.432 0.292     311.338     380.000       7.941   14 
+    600000      120000.00      42.085       1.405      43.489   4.80 0.071 0.800 0.182 0.414     381.814     380.000       8.779   14 
+    610000      122000.00      39.546       7.175      46.721   4.72 0.071 0.667 0.167 0.503     358.783     370.000       8.979   14 
+    620000      124000.00      37.373       4.066      41.438   4.80 0.000 1.000 0.318 0.500     339.064     370.000       7.591   14 
+    630000      126000.00      39.685       8.133      47.818   5.29 0.143 0.667 0.220 0.338     360.039     370.000       9.266   14 
+    640000      128000.00      43.697       1.132      44.829   6.83 0.214 0.250 0.159 0.268     396.438     370.000       9.518   14 
+    650000      130000.00      40.067       6.332      46.399   7.37 0.000 1.000 0.136 0.349     363.512     370.000      10.503   14 
+    660000      132000.00      38.893       6.380      45.274   6.03 0.214 0.727 0.339 0.392     352.860     370.000       7.265   14 
+    670000      134000.00      30.226       9.751      39.977   5.37 0.071 0.667 0.303 0.764     274.228     370.000       8.293   14 
+    680000      136000.00      35.250       8.267      43.517   7.70 0.071 0.500 0.182 0.865     319.809     370.000      11.138   14 
+    690000      138000.00      39.106       3.274      42.380   5.31 0.071 0.800 0.318 1.367     354.788     370.000       8.283   14 
+    700000      140000.00      36.890      19.491      56.381   4.55 0.071 0.500 0.136 0.554     334.684     370.000       8.076   14 
+    710000      142000.00      39.911       4.771      44.682   7.39 0.071 0.000 0.136 0.813     362.092     360.000       9.844   14 
+    720000      144000.00      34.817      10.709      45.526   6.45 0.000 1.000 0.280 0.484     315.875     360.000       7.645   14 
+    730000      146000.00      37.045       2.297      39.342   4.22 0.214 0.625 0.341 0.755     336.089     360.000       8.292   14 
+    740000      148000.00      42.497       5.087      47.584   6.54 0.000   NaN   NaN 0.579     385.558     360.000       9.323   14 
+    750000      150000.00      44.780       8.979      53.759  11.78 0.000 1.000 0.136 0.755     406.268     360.000      14.876   14 
+    760000      152000.00      44.449       7.069      51.518   7.94 0.143 0.600 0.227 0.414     403.267     360.000       8.549   14 
+    770000      154000.00      49.257      12.207      61.465   8.52 0.143 0.600 0.155 0.333     446.889     360.000      11.438   14 
+    780000      156000.00      41.481      15.020      56.500   4.15 0.071 0.800 0.345 0.811     376.335     360.000       8.660   14 
+    790000      158000.00      30.322      -4.038      26.284   6.97 0.071 0.750 0.159 0.365     275.096     360.000      10.564   14 
+    800000      160000.00      34.453      16.466      50.919   6.09 0.000 1.000 0.432 0.339     312.575     360.000       9.049   14 
+    810000      162000.00      40.133       8.454      48.587   8.55 0.071 0.667 0.182 0.924     364.109     400.000      12.682   14 
+    820000      164000.00      48.294      17.461      65.755   6.08 0.214 0.625 0.182 0.944     438.149     400.000       9.494   14 
+    830000      166000.00      50.629      19.072      69.700   7.11 0.000   NaN   NaN 0.534     459.330     400.000      12.027   14 
+    840000      168000.00      42.897      26.553      69.450   7.11 0.143 0.667 0.174 0.598     389.180     400.000      10.027   14 
+    850000      170000.00      33.116       8.027      41.143   6.96 0.143 0.714 0.214 0.490     300.445     400.000       9.732   14 
+    860000      172000.00      52.589       3.907      56.496   4.44 0.143 0.600 0.209 0.768     477.116     400.000       8.666   14 
+    870000      174000.00      49.892       5.309      55.201   3.70 0.071 0.875 0.330 0.867     452.646     400.000       7.745   14 
+    880000      176000.00      33.497      14.959      48.456   7.38 0.000 1.000 0.242 0.619     303.906     400.000       9.763   14 
+    890000      178000.00      45.864      10.626      56.490   8.69 0.000 1.000 0.182 0.978     416.104     400.000      12.386   14 
+    900000      180000.00      37.649      17.144      54.792   8.64 0.071 0.500 0.273 1.181     341.567     400.000      10.661   14 
+    910000      182000.00      37.150      -0.193      36.957   5.13 0.071 0.857 0.299 0.273     337.046     390.000       8.213   14 
+    920000      184000.00      43.147       9.820      52.968   7.16 0.071 0.667 0.167 0.444     391.453     390.000      11.719   14 
+    930000      186000.00      41.185      13.810      54.995   6.93 0.071 0.667 0.167 0.440     373.651     390.000       9.554   14 
+    940000      188000.00      48.370       8.131      56.501   5.12 0.071 0.889 0.338 0.610     438.836     390.000       6.822   14 
+    950000      190000.00      43.855      16.567      60.422   8.26 0.000 1.000 0.295 1.099     397.873     390.000      11.535   14 
+    960000      192000.00      39.996      20.027      60.023   6.83 0.071 0.500 0.182 0.786     362.868     390.000       9.135   14 
+    970000      194000.00      49.960      12.042      62.003   6.12 0.071 0.833 0.303 0.665     453.266     390.000       8.352   14 
+    980000      196000.00      38.888       9.400      48.288   6.86 0.000 1.000 0.318 0.310     352.813     390.000       9.121   14 
+    990000      198000.00      44.162       5.804      49.966   5.22 0.143 0.600 0.355 0.334     400.663     390.000       7.998   14 
+   1000000      200000.00      34.110       9.266      43.377   5.93 0.000 1.000 0.364 0.243     309.467     390.000       9.037   14