Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / Langevin / ff_1l2y / 1L2Y_REMD_GB011.stat

diff --git a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD_GB011.stat b/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD_GB011.stat
deleted file mode 100644 (file)
index 66c4e1f..0000000
--- a/examples/unres/new/REMD/Langevin/ff_1l2y/1L2Y_REMD_GB011.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      43.968     113.174     157.143  12.87 0.000   NaN   NaN 4.850     398.905     360.000      15.552   11 
-     10000        2000.00      41.929       8.627      50.556   8.33 0.000 1.000 0.182 0.499     380.399     360.000      11.328   11 
-     20000        4000.00      44.213       7.027      51.240   6.23 0.143 0.778 0.177 0.466     401.121     360.000       9.405   11 
-     30000        6000.00      37.859      -3.600      34.259   6.56 0.071 0.889 0.247 0.637     343.473     360.000       8.364   11 
-     40000        8000.00      47.614      15.654      63.268   5.23 0.000 1.000 0.205 1.461     431.976     360.000      10.091   11 
-     50000       10000.00      43.383       6.268      49.651   7.64 0.071 0.800 0.182 0.724     393.590     360.000       9.242   11 
-     60000       12000.00      41.303      -7.424      33.879   7.45 0.000 1.000 0.182 0.624     374.725     360.000       9.132   11 
-     70000       14000.00      38.694      -5.919      32.775   3.24 0.286 0.667 0.352 0.321     351.052     360.000       7.078   11 
-     80000       16000.00      37.980      -0.865      37.115   3.79 0.143 0.333 0.364 0.382     344.574     360.000       7.501   11 
-     90000       18000.00      36.026      -3.501      32.525   4.71 0.143 0.600 0.200 1.209     326.849     360.000       7.374   11 
-    100000       20000.00      38.523       3.556      42.079   5.98 0.286 0.429 0.175 0.267     349.499     360.000       9.165   11 
-    110000       22000.00      29.849      -2.834      27.016   7.71 0.143 0.667 0.227 0.471     270.808     350.000       9.814   11 
-    120000       24000.00      30.813       0.255      31.068   4.23 0.214 0.571 0.188 0.292     279.552     350.000       7.611   11 
-    130000       26000.00      37.587       7.138      44.726   9.52 0.000 1.000 0.136 0.358     341.013     350.000      11.772   11 
-    140000       28000.00      37.467      -4.260      33.207   5.72 0.071 0.750 0.170 0.484     339.916     350.000      10.315   11 
-    150000       30000.00      38.491       6.877      45.368   7.41 0.143 0.000 0.136 1.333     349.213     350.000      11.229   11 
-    160000       32000.00      47.718      -1.641      46.078   8.33 0.143 0.600 0.182 0.274     432.925     350.000      10.928   11 
-    170000       34000.00      41.136      -2.918      38.218   6.75 0.071 0.857 0.195 0.242     373.204     350.000       9.976   11 
-    180000       36000.00      34.728      -1.779      32.950   5.47 0.143 0.333 0.152 0.528     315.075     350.000       9.936   11 
-    190000       38000.00      46.327       4.179      50.506   5.49 0.071 0.833 0.280 1.304     420.300     350.000       9.520   11 
-    200000       40000.00      38.855       7.243      46.098   5.19 0.071 0.857 0.519 0.731     352.512     350.000       8.262   11 
-    210000       42000.00      45.656      -3.920      41.736   5.95 0.143 0.833 0.367 0.331     414.215     350.000       7.484   11 
-    220000       44000.00      34.768       6.271      41.039   6.79 0.214 0.700 0.295 0.565     315.437     350.000       7.097   11 
-    230000       46000.00      44.697      -1.176      43.521   4.99 0.143 0.778 0.187 0.485     405.516     350.000       6.928   11 
-    240000       48000.00      35.868      -4.351      31.517   6.64 0.071 0.889 0.409 0.309     325.412     350.000       6.567   11 
-    250000       50000.00      42.572       8.770      51.342   5.07 0.071 0.800 0.364 0.976     386.231     350.000       8.238   11 
-    260000       52000.00      42.104      -2.286      39.818   7.15 0.071 0.800 0.400 0.414     381.993     350.000       7.704   11 
-    270000       54000.00      33.872       5.691      39.563   6.32 0.143 0.333 0.152 0.264     307.304     350.000       9.615   11 
-    280000       56000.00      35.843      -0.714      35.129   5.95 0.143 0.667 0.250 0.417     325.183     350.000       7.385   11 
-    290000       58000.00      42.458       6.070      48.528   5.00 0.071 0.857 0.266 0.481     385.198     350.000       7.940   11 
-    300000       60000.00      40.723      -4.387      36.335   6.70 0.071 0.833 0.235 0.799     369.457     350.000       8.768   11 
-    310000       62000.00      25.587       2.851      28.438   4.74 0.214 0.250 0.159 0.611     232.135     340.000       9.535   11 
-    320000       64000.00      39.383      -7.243      32.139   6.68 0.143 0.750 0.188 0.214     357.302     340.000       8.953   11 
-    330000       66000.00      45.808      -7.230      38.578   6.56 0.071 0.750 0.193 0.911     415.596     340.000      10.094   11 
-    340000       68000.00      35.923       5.206      41.130   6.82 0.071 0.889 0.222 0.370     325.915     340.000       8.615   11 
-    350000       70000.00      39.190      -0.271      38.920   8.13 0.071 0.800 0.227 0.472     355.555     340.000       9.157   11 
-    360000       72000.00      32.346       0.131      32.477   6.87 0.143 0.714 0.149 0.263     293.461     340.000      10.247   11 
-    370000       74000.00      40.923      -6.204      34.718   6.60 0.143 0.600 0.173 0.995     371.272     340.000       9.887   11 
-    380000       76000.00      47.970      -5.914      42.056   6.05 0.071 0.800 0.209 0.339     435.208     340.000       7.680   11 
-    390000       78000.00      43.436       2.842      46.278   6.70 0.071 0.889 0.374 0.492     394.073     340.000       8.195   11 
-    400000       80000.00      29.716      11.175      40.891   5.83 0.071 0.500 0.136 0.294     269.595     340.000       8.647   11 
-    410000       82000.00      39.269       2.788      42.056   5.55 0.143 0.667 0.485 0.617     356.268     400.000       7.187   11 
-    420000       84000.00      43.779       9.890      53.669   4.27 0.071 0.500 0.182 0.627     397.186     400.000       8.210   11 
-    430000       86000.00      43.568      12.113      55.681   4.91 0.143 0.500 0.250 0.242     395.269     400.000       7.948   11 
-    440000       88000.00      49.523      10.880      60.404   5.83 0.071 0.750 0.341 0.644     449.300     400.000       8.491   11 
-    450000       90000.00      53.012      12.082      65.094   7.14 0.071 0.800 0.318 1.036     480.953     400.000       7.566   11 
-    460000       92000.00      51.700      11.432      63.132   5.90 0.000 1.000 0.443 0.293     469.053     400.000       8.797   11 
-    470000       94000.00      37.988       0.848      38.836   6.39 0.143 0.714 0.377 0.565     344.643     400.000       8.392   11 
-    480000       96000.00      52.677      15.911      68.588   5.41 0.000 1.000 0.341 0.275     477.914     400.000       8.794   11 
-    490000       98000.00      37.408      -3.484      33.925   5.26 0.071 0.750 0.227 0.499     339.387     400.000       8.083   11 
-    500000      100000.00      41.630      11.160      52.791   7.55 0.071 0.875 0.341 0.376     377.690     400.000       8.011   11 
-    510000      102000.00      39.119      19.493      58.612   7.66 0.071 0.000 0.182 0.490     354.903     390.000       8.738   11 
-    520000      104000.00      49.803       6.582      56.385   7.22 0.143 0.714 0.279 0.537     451.839     390.000       7.192   11 
-    530000      106000.00      40.973      11.202      52.176   6.18 0.143 0.667 0.288 1.160     371.732     390.000       7.727   11 
-    540000      108000.00      37.746       2.890      40.636   8.06 0.143 0.000 0.136 0.750     342.451     390.000      10.364   11 
-    550000      110000.00      37.661      17.173      54.834   7.25 0.000 1.000 0.205 0.464     341.682     390.000       9.730   11 
-    560000      112000.00      37.039      21.494      58.533   7.32 0.000 1.000 0.295 0.295     336.038     390.000       9.581   11 
-    570000      114000.00      48.785       5.264      54.049  10.07 0.000   NaN   NaN 0.460     442.607     390.000      13.347   11 
-    580000      116000.00      53.054      17.472      70.526   7.44 0.214 0.571 0.169 0.556     481.335     390.000       9.786   11 
-    590000      118000.00      33.811       4.898      38.709   7.04 0.000 1.000 0.227 0.250     306.752     390.000       9.801   11 
-    600000      120000.00      37.542      14.867      52.410   6.80 0.071 0.000 0.182 0.987     340.603     390.000      11.259   11 
-    610000      122000.00      30.806       9.894      40.699   6.43 0.143 0.333 0.136 0.824     279.486     380.000      10.317   11 
-    620000      124000.00      40.880       1.015      41.895   8.25 0.143 0.000 0.159 0.542     370.884     380.000      12.201   11 
-    630000      126000.00      33.267       3.897      37.164   6.92 0.143 0.600 0.200 0.639     301.816     380.000       9.867   11 
-    640000      128000.00      50.033      -1.926      48.107   6.45 0.071 0.667 0.152 0.529     453.924     380.000       9.598   11 
-    650000      130000.00      36.213       8.215      44.429   5.19 0.143 0.714 0.227 1.153     328.546     380.000       8.470   11 
-    660000      132000.00      42.491       6.013      48.504   9.69 0.143 0.000 0.136 0.593     385.500     380.000      12.383   11 
-    670000      134000.00      36.686       9.647      46.332   6.40 0.071 0.750 0.205 0.137     332.831     380.000       9.426   11 
-    680000      136000.00      39.808       9.547      49.355   8.28 0.000 1.000 0.152 0.735     361.161     380.000      10.427   11 
-    690000      138000.00      38.929       1.245      40.174   9.16 0.214 0.250 0.182 0.719     353.184     380.000      12.175   11 
-    700000      140000.00      47.378      17.720      65.098  10.32 0.000 1.000 0.205 0.439     429.834     380.000      12.810   11 
-    710000      142000.00      40.283       2.114      42.397   7.38 0.071 0.667 0.212 0.563     365.466     370.000      11.521   11 
-    720000      144000.00      47.986       3.223      51.209   4.85 0.214 0.769 0.280 0.347     435.353     370.000       7.443   11 
-    730000      146000.00      35.002      11.272      46.274   5.44 0.000 1.000 0.473 0.781     317.555     370.000       7.838   11 
-    740000      148000.00      42.614      15.243      57.856   6.82 0.143 0.000 0.182 0.477     386.613     370.000      10.670   11 
-    750000      150000.00      46.166      13.089      59.255   5.74 0.071 0.800 0.200 0.367     418.846     370.000       8.137   11 
-    760000      152000.00      38.699       5.498      44.197   5.27 0.143 0.600 0.209 0.875     351.095     370.000       8.254   11 
-    770000      154000.00      35.643       3.828      39.471   5.88 0.071 0.667 0.379 1.048     323.368     370.000       8.252   11 
-    780000      156000.00      40.690      18.197      58.887   6.73 0.071 0.000 0.136 0.359     369.157     370.000       9.111   11 
-    790000      158000.00      34.739      10.495      45.234   6.40 0.143 0.333 0.273 0.481     315.168     370.000       9.217   11 
-    800000      160000.00      44.100       3.395      47.494   7.39 0.143 0.750 0.182 0.826     400.094     370.000       9.484   11 
-    810000      162000.00      42.391      -4.334      38.057   5.26 0.214 0.571 0.188 0.462     384.594     360.000       9.313   11 
-    820000      164000.00      38.298       5.479      43.777   4.77 0.143 0.667 0.341 0.232     347.463     360.000       8.424   11 
-    830000      166000.00      38.458      -7.269      31.189   4.52 0.214 0.769 0.346 0.461     348.912     360.000       6.820   11 
-    840000      168000.00      34.118      -6.089      28.029   4.03 0.357 0.643 0.321 0.593     309.537     360.000       7.066   11 
-    850000      170000.00      45.050       8.963      54.013   4.85 0.143 0.500 0.182 0.908     408.715     360.000       9.035   11 
-    860000      172000.00      40.654       1.923      42.577   5.01 0.071 0.857 0.325 0.358     368.831     360.000       8.086   11 
-    870000      174000.00      30.881       3.199      34.080   4.26 0.071 0.875 0.290 0.423     280.170     360.000       7.809   11 
-    880000      176000.00      41.129      -4.954      36.174   4.59 0.071 0.909 0.269 0.421     373.141     360.000       6.827   11 
-    890000      178000.00      42.785      -4.578      38.207   6.62 0.071 0.857 0.383 0.659     388.163     360.000       7.404   11 
-    900000      180000.00      33.885       6.301      40.187   7.15 0.071 0.833 0.273 0.529     307.423     360.000       7.626   11 
-    910000      182000.00      37.430      13.979      51.409   7.88 0.143 0.333 0.182 0.658     339.580     390.000      10.903   11 
-    920000      184000.00      53.238      12.654      65.892   6.29 0.000 1.000 0.398 1.354     483.002     390.000       9.272   11 
-    930000      186000.00      42.182       7.839      50.021   7.56 0.071 0.500 0.205 1.349     382.693     390.000       9.652   11 
-    940000      188000.00      40.411      -4.489      35.922   7.10 0.000 1.000 0.265 0.622     366.631     390.000       7.598   11 
-    950000      190000.00      50.964      10.604      61.568   7.68 0.071 0.889 0.343 0.187     462.376     390.000       8.219   11 
-    960000      192000.00      44.832       1.433      46.265   6.41 0.000 1.000 0.455 0.462     406.743     390.000       8.767   11 
-    970000      194000.00      35.912      12.000      47.912   5.89 0.143 0.500 0.193 0.807     325.812     390.000       8.581   11 
-    980000      196000.00      39.253       7.493      46.746   7.31 0.000 1.000 0.216 0.534     356.121     390.000       8.525   11 
-    990000      198000.00      42.290      13.427      55.717   7.12 0.071 0.889 0.212 0.861     383.674     390.000       9.080   11 
-   1000000      200000.00      54.181       9.822      64.003   6.96 0.071 0.500 0.205 0.590     491.557     390.000       8.523   11