Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / MREMD / ff_1l2y / 1L2Y_MREMD_GB049.stat

diff --git a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat b/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat
deleted file mode 100644 (file)
index 99553a6..0000000
--- a/examples/unres/new/MREMD/ff_1l2y/1L2Y_MREMD_GB049.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      29.716     112.930     142.646  12.87 0.000   NaN   NaN 4.850     269.596     370.000      15.552   49 
-     10000        2000.00      36.521       5.891      42.412   6.88 0.000 1.000 0.279 0.920     331.336     370.000       8.786   49 
-     20000        4000.00      39.856       2.512      42.369   4.82 0.143 0.667 0.432 1.269     361.599     370.000       8.314   49 
-     30000        6000.00      39.855       6.136      45.991   6.28 0.071 0.750 0.170 0.362     361.588     370.000       8.820   49 
-     40000        8000.00      42.513      10.775      53.288   7.02 0.143 0.667 0.197 0.313     385.701     370.000       8.565   49 
-     50000       10000.00      38.629      10.959      49.587   4.87 0.143 0.667 0.295 0.983     350.459     370.000       7.473   49 
-     60000       12000.00      43.620       4.385      48.005   6.85 0.071 0.750 0.216 0.368     395.744     370.000       9.105   49 
-     70000       14000.00      41.635       4.971      46.606   5.17 0.000 1.000 0.295 0.990     377.736     370.000       8.795   49 
-     80000       16000.00      45.475       9.955      55.429   7.69 0.143 0.714 0.344 0.407     412.570     370.000       8.575   49 
-     90000       18000.00      31.227      -2.123      29.104   6.77 0.143 0.500 0.182 0.659     283.310     370.000       9.580   49 
-    100000       20000.00      38.211       9.070      47.282   7.61 0.000 1.000 0.288 1.150     346.673     370.000      10.212   49 
-    110000       22000.00      36.583      12.324      48.907   9.80 0.071 0.500 0.159 0.291     331.896     370.000      13.176   49 
-    120000       24000.00      41.456       2.436      43.892   9.71 0.000   NaN   NaN 0.459     376.106     370.000      12.565   49 
-    130000       26000.00      35.313       3.213      38.525   6.98 0.071 0.750 0.170 1.183     320.374     370.000      10.117   49 
-    140000       28000.00      52.785       6.202      58.988   4.70 0.071 0.750 0.273 0.895     478.896     370.000       8.271   49 
-    150000       30000.00      42.966       6.970      49.936   4.41 0.071 0.833 0.197 0.364     389.810     370.000       7.735   49 
-    160000       32000.00      34.403       1.222      35.625   5.22 0.071 0.857 0.383 0.286     312.125     370.000       8.697   49 
-    170000       34000.00      39.464      -3.001      36.463   4.15 0.071 0.875 0.205 0.458     358.035     370.000       7.366   49 
-    180000       36000.00      37.579      16.642      54.222   5.05 0.000 1.000 0.568 0.574     340.941     370.000       8.856   49 
-    190000       38000.00      36.576      11.630      48.206   5.40 0.000 1.000 0.182 1.001     331.839     370.000       9.627   49 
-    200000       40000.00      34.779       3.122      37.901   5.49 0.143 0.750 0.415 0.676     315.529     370.000       7.367   49 
-    210000       42000.00      48.266      10.797      59.064   5.97 0.071 0.750 0.205 0.576     437.898     370.000       8.379   49 
-    220000       44000.00      34.046       3.039      37.086   4.06 0.000 1.000 0.424 0.687     308.887     370.000       7.742   49 
-    230000       46000.00      47.842       6.126      53.969   5.18 0.143 0.750 0.284 0.593     434.051     370.000       7.678   49 
-    240000       48000.00      38.265       8.391      46.656   6.10 0.143 0.778 0.263 0.482     347.159     370.000       8.471   49 
-    250000       50000.00      37.933       4.651      42.585   6.56 0.071 0.800 0.200 0.979     344.151     370.000       7.645   49 
-    260000       52000.00      41.458      10.628      52.086   5.08 0.000 1.000 0.455 0.344     376.132     370.000       8.189   49 
-    270000       54000.00      42.401      20.505      62.906   6.98 0.071 0.667 0.212 0.964     384.686     370.000      10.730   49 
-    280000       56000.00      47.114       6.504      53.618   5.87 0.000 1.000 0.227 0.607     427.441     370.000       8.589   49 
-    290000       58000.00      32.981      13.682      46.663   5.89 0.143 0.600 0.382 0.285     299.224     370.000       8.094   49 
-    300000       60000.00      45.077       2.827      47.904   8.09 0.000 1.000 0.356 0.894     408.957     370.000       9.270   49 
-    310000       62000.00      38.415       3.433      41.848   6.04 0.071 0.000 0.136 1.072     348.522     360.000       8.786   49 
-    320000       64000.00      36.520       4.717      41.237   4.94 0.071 0.857 0.247 0.377     331.326     360.000       8.682   49 
-    330000       66000.00      32.078      -6.510      25.569   5.49 0.000 1.000 0.364 0.486     291.030     360.000       8.551   49 
-    340000       68000.00      28.300      12.667      40.967   6.16 0.071 0.500 0.159 0.253     256.753     360.000       9.128   49 
-    350000       70000.00      43.313       9.201      52.515   7.56 0.000 1.000 0.386 0.549     392.961     360.000       7.662   49 
-    360000       72000.00      38.374       9.230      47.604   7.31 0.071 0.500 0.159 0.445     348.149     360.000      10.878   49 
-    370000       74000.00      49.836       6.104      55.940   8.46 0.000 1.000 0.159 0.647     452.137     360.000      10.497   49 
-    380000       76000.00      34.218       6.164      40.382   6.69 0.143 0.714 0.221 0.516     310.442     360.000       8.117   49 
-    390000       78000.00      38.355       6.607      44.962   6.21 0.143 0.600 0.209 0.757     347.976     360.000       8.361   49 
-    400000       80000.00      31.226      16.167      47.393   8.99 0.000   NaN   NaN 0.540     283.301     360.000      12.273   49 
-    410000       82000.00      38.833      10.607      49.440  10.86 0.000 1.000 0.136 0.671     352.309     400.000      13.878   49 
-    420000       84000.00      36.264      13.666      49.930   7.54 0.000 1.000 0.182 0.739     329.008     400.000       9.567   49 
-    430000       86000.00      47.710      15.459      63.169   5.01 0.071 0.800 0.391 0.485     432.853     400.000       8.326   49 
-    440000       88000.00      35.694       3.673      39.366   6.06 0.143 0.750 0.267 0.434     323.830     400.000       7.750   49 
-    450000       90000.00      45.383      14.051      59.434   5.11 0.000 1.000 0.159 0.274     411.738     400.000       9.772   49 
-    460000       92000.00      34.346      11.728      46.074   6.13 0.000 1.000 0.273 0.395     311.603     400.000       8.359   49 
-    470000       94000.00      41.290      15.939      57.229   6.57 0.143 0.500 0.148 0.439     374.608     400.000       9.983   49 
-    480000       96000.00      41.499      19.316      60.816   7.39 0.000 1.000 0.136 0.457     376.505     400.000      11.287   49 
-    490000       98000.00      44.561      20.250      64.811   7.04 0.071 0.000 0.136 1.203     404.279     400.000      11.241   49 
-    500000      100000.00      46.335      15.422      61.758   5.83 0.071 0.667 0.348 0.401     420.376     400.000       7.613   49 
-    510000      102000.00      41.350      21.208      62.558   6.91 0.143 0.600 0.191 0.550     375.152     400.000       8.500   49 
-    520000      104000.00      44.211      17.938      62.150   8.33 0.000 1.000 0.227 0.750     401.107     400.000      12.411   49 
-    530000      106000.00      39.160      13.634      52.794   6.15 0.071 0.857 0.396 0.582     355.279     400.000       8.656   49 
-    540000      108000.00      41.392      18.217      59.609   8.77 0.071 0.000 0.136 0.596     375.531     400.000      12.502   49 
-    550000      110000.00      44.903      13.641      58.544   6.00 0.143 0.500 0.159 0.491     407.382     400.000      10.271   49 
-    560000      112000.00      55.575       3.949      59.523   5.58 0.071 0.667 0.591 1.934     504.202     400.000       7.807   49 
-    570000      114000.00      40.114      11.352      51.466   4.11 0.357 0.500 0.395 0.226     363.939     400.000       8.409   49 
-    580000      116000.00      54.662      17.525      72.187   5.37 0.071 0.000 0.182 0.587     495.923     400.000       8.763   49 
-    590000      118000.00      54.826       6.134      60.960   6.70 0.143 0.667 0.174 1.032     497.408     400.000       9.642   49 
-    600000      120000.00      43.223       9.251      52.474   5.64 0.000 1.000 0.500 0.492     392.144     400.000       7.934   49 
-    610000      122000.00      43.806      14.429      58.235   7.73 0.000 1.000 0.205 0.490     397.428     400.000      11.433   49 
-    620000      124000.00      37.502      20.038      57.540   7.67 0.000 1.000 0.250 0.935     340.236     400.000      11.153   49 
-    630000      126000.00      44.484      32.789      77.273   7.41 0.071 0.500 0.136 1.257     403.584     400.000      11.356   49 
-    640000      128000.00      35.136      12.634      47.770   9.15 0.071 0.667 0.152 0.894     318.770     400.000      11.982   49 
-    650000      130000.00      44.547      16.418      60.966   5.08 0.000 1.000 0.591 0.798     404.157     400.000       7.476   49 
-    660000      132000.00      46.558       8.918      55.476   5.67 0.071 0.833 0.379 1.052     422.395     400.000       9.274   49 
-    670000      134000.00      37.109      14.147      51.256   7.18 0.071 0.750 0.227 0.350     336.672     400.000       9.852   49 
-    680000      136000.00      39.835      18.192      58.027   7.41 0.000 1.000 0.242 1.008     361.407     400.000      10.232   49 
-    690000      138000.00      46.964       1.116      48.080   5.96 0.000 1.000 0.159 0.312     426.080     400.000       8.419   49 
-    700000      140000.00      45.455       8.122      53.577   7.47 0.143 0.500 0.148 0.305     412.395     400.000       9.871   49 
-    710000      142000.00      48.318       6.724      55.042   5.30 0.214 0.250 0.250 0.822     438.361     400.000       8.941   49 
-    720000      144000.00      34.609      13.116      47.725   8.12 0.143 0.667 0.288 0.226     313.988     400.000       9.741   49 
-    730000      146000.00      45.427       9.116      54.542   6.85 0.000 1.000 0.268 0.925     412.134     400.000       8.002   49 
-    740000      148000.00      29.491      11.202      40.693   5.73 0.071 0.750 0.466 0.413     267.559     400.000       8.066   49 
-    750000      150000.00      37.483       7.623      45.106   4.96 0.000 1.000 0.216 0.694     340.062     400.000      10.075   49 
-    760000      152000.00      37.778      25.060      62.837   7.41 0.000   NaN   NaN 0.574     342.737     400.000      11.172   49 
-    770000      154000.00      35.437       9.202      44.639   5.55 0.000 1.000 0.136 1.165     321.504     400.000       9.975   49 
-    780000      156000.00      55.450      18.296      73.746   5.63 0.000 1.000 0.303 1.974     503.071     400.000       8.895   49 
-    790000      158000.00      37.231      10.766      47.997   6.68 0.071 0.800 0.436 0.257     337.778     400.000       8.243   49 
-    800000      160000.00      37.198      11.921      49.119   9.22 0.000   NaN   NaN 0.872     337.483     400.000      11.630   49 
-    810000      162000.00      46.983      11.939      58.923   5.95 0.071 0.500 0.136 0.526     426.257     400.000      10.157   49 
-    820000      164000.00      37.230      12.435      49.665   5.85 0.071 0.667 0.182 0.908     337.772     400.000      10.076   49 
-    830000      166000.00      39.440      11.634      51.074   8.62 0.000 1.000 0.182 0.665     357.817     400.000      12.638   49 
-    840000      168000.00      49.658      17.642      67.299   6.99 0.000 1.000 0.364 0.910     450.522     400.000       9.516   49 
-    850000      170000.00      42.205       4.474      46.679   8.47 0.000 1.000 0.182 0.236     382.908     400.000      12.581   49 
-    860000      172000.00      44.053      17.010      61.063   5.58 0.143 0.857 0.386 0.816     399.671     400.000       6.958   49 
-    870000      174000.00      35.521      11.689      47.211   9.76 0.000   NaN   NaN 0.173     322.266     400.000      13.386   49 
-    880000      176000.00      41.573      12.460      54.033   7.52 0.071 0.800 0.282 0.450     377.173     400.000      10.084   49 
-    890000      178000.00      45.853      11.490      57.343   7.10 0.000 1.000 0.136 0.908     416.004     400.000      10.567   49 
-    900000      180000.00      36.798      13.693      50.491   5.16 0.000 1.000 0.167 0.377     333.847     400.000       9.617   49 
-    910000      182000.00      38.716      19.662      58.378   8.09 0.071 0.667 0.212 0.403     351.254     400.000      10.783   49 
-    920000      184000.00      37.655      19.353      57.008   5.77 0.000 1.000 0.227 0.889     341.623     400.000       8.826   49 
-    930000      186000.00      34.108       7.025      41.132   5.00 0.071 0.667 0.227 0.097     309.441     400.000       7.178   49 
-    940000      188000.00      40.477      20.477      60.954   7.91 0.000   NaN   NaN 0.371     367.227     400.000      12.149   49 
-    950000      190000.00      41.662      11.022      52.684  10.41 0.000   NaN   NaN 0.979     377.981     400.000      14.085   49 
-    960000      192000.00      35.506      28.534      64.039   5.47 0.000 1.000 0.500 0.973     322.127     400.000       8.491   49 
-    970000      194000.00      39.258      23.448      62.706   6.05 0.143 0.600 0.182 0.415     356.166     400.000       8.037   49 
-    980000      196000.00      40.728       8.240      48.968   4.72 0.000 1.000 0.182 0.553     369.505     400.000       9.272   49 
-    990000      198000.00      47.166      -1.670      45.496   4.74 0.214 0.700 0.336 0.240     427.917     400.000       7.661   49 
-   1000000      200000.00      40.592      12.048      52.639   5.89 0.071 0.857 0.506 0.754     368.267     400.000       7.832   49