Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / REMD / with_constrains / Berendsen / ff_1l2y / 1L2Y_REMD_GB012.stat

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat
deleted file mode 100644 (file)
index 053ea84..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_1l2y/1L2Y_REMD_GB012.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      26.618      68.800      95.418   0.00 1.000 0.000 0.308 1.973     241.491     370.000       7.001   12 
-     10000        2000.00      30.909      15.047      45.956   7.36 0.143 0.333 0.136 0.560     280.425     370.000      10.389   12 
-     20000        4000.00      38.353      -3.744      34.609   5.90 0.143 0.500 0.148 0.465     347.957     370.000       9.336   12 
-     30000        6000.00      46.039       1.350      47.389   4.82 0.143 0.500 0.182 0.295     417.692     370.000       7.727   12 
-     40000        8000.00      41.443       8.445      49.888   5.48 0.071 0.800 0.318 0.657     375.988     370.000       7.753   12 
-     50000       10000.00      42.480       8.826      51.306   6.36 0.000 1.000 0.182 0.465     385.404     370.000      10.346   12 
-     60000       12000.00      31.678       8.253      39.931   6.41 0.071 0.667 0.409 0.648     287.403     370.000       8.972   12 
-     70000       14000.00      46.354      10.268      56.622   4.52 0.143 0.600 0.600 0.828     420.549     370.000       7.745   12 
-     80000       16000.00      46.310       8.090      54.401   5.40 0.214 0.769 0.357 0.522     420.150     370.000       7.714   12 
-     90000       18000.00      35.874      23.998      59.872   7.09 0.071 0.667 0.152 0.229     325.469     370.000      10.524   12 
-    100000       20000.00      39.923       5.580      45.503   4.34 0.071 0.667 0.152 0.779     362.205     370.000       9.132   12 
-    110000       22000.00      39.572      -5.821      33.752   6.60 0.214 0.500 0.167 0.698     359.019     360.000       8.904   12 
-    120000       24000.00      31.796       7.769      39.565   6.67 0.214 0.400 0.227 0.453     288.467     360.000       9.941   12 
-    130000       26000.00      33.886      12.793      46.679   4.14 0.071 0.800 0.355 0.309     307.428     360.000       7.603   12 
-    140000       28000.00      36.744       2.425      39.169   5.66 0.071 0.889 0.424 0.773     333.357     360.000       7.580   12 
-    150000       30000.00      29.813       9.374      39.187   5.72 0.143 0.750 0.330 0.641     270.475     360.000       7.771   12 
-    160000       32000.00      44.211      13.100      57.311   7.20 0.143 0.500 0.216 1.092     401.102     360.000       8.537   12 
-    170000       34000.00      45.165      12.160      57.325   4.46 0.214 0.400 0.173 0.411     409.757     360.000       8.749   12 
-    180000       36000.00      35.510       2.293      37.803   4.01 0.000 1.000 0.182 0.519     322.163     360.000       7.963   12 
-    190000       38000.00      36.542      17.691      54.233   5.92 0.071 0.500 0.136 0.939     331.524     360.000      10.671   12 
-    200000       40000.00      46.316      20.880      67.196  11.38 0.000   NaN   NaN 0.582     420.202     360.000      15.238   12 
-    210000       42000.00      34.135      10.171      44.306   7.53 0.143 0.000 0.136 0.704     309.689     400.000      10.736   12 
-    220000       44000.00      45.468      20.728      66.196   4.78 0.000 1.000 0.250 0.800     412.508     400.000       9.503   12 
-    230000       46000.00      40.211      19.092      59.303   7.79 0.000 1.000 0.282 0.359     364.817     400.000       9.270   12 
-    240000       48000.00      44.422      17.708      62.130   8.89 0.071 0.750 0.148 0.955     403.020     400.000      12.388   12 
-    250000       50000.00      34.653      10.565      45.218   7.32 0.071 0.500 0.182 0.824     314.391     400.000      10.080   12 
-    260000       52000.00      41.960      14.044      56.004   5.52 0.071 0.667 0.136 0.429     380.687     400.000       8.752   12 
-    270000       54000.00      49.262       7.230      56.491   6.60 0.143 0.714 0.286 0.571     446.928     400.000       7.719   12 
-    280000       56000.00      34.882      13.195      48.077   5.65 0.071 0.800 0.373 0.140     316.468     400.000       7.716   12 
-    290000       58000.00      38.188      19.293      57.481   9.44 0.000 1.000 0.136 0.634     346.465     400.000      11.777   12 
-    300000       60000.00      42.937      23.287      66.224   5.76 0.143 0.750 0.307 0.755     389.542     400.000       8.552   12 
-    310000       62000.00      42.920      22.966      65.886   6.20 0.000 1.000 0.182 0.292     389.393     390.000      10.212   12 
-    320000       64000.00      37.490      11.678      49.168   5.21 0.071 0.750 0.477 0.729     340.131     390.000       8.346   12 
-    330000       66000.00      44.270      20.150      64.420   8.90 0.071 0.500 0.182 0.634     401.636     390.000      11.951   12 
-    340000       68000.00      46.111      15.071      61.181   7.96 0.214 0.000 0.136 0.396     418.339     390.000      10.770   12 
-    350000       70000.00      39.110      11.705      50.815   4.77 0.071 0.000 0.136 0.828     354.830     390.000       8.542   12 
-    360000       72000.00      30.337       7.749      38.086   5.94 0.071 0.800 0.300 0.143     275.232     390.000       7.266   12 
-    370000       74000.00      40.343      17.673      58.016   5.05 0.143 0.000 0.432 1.149     366.017     390.000       8.608   12 
-    380000       76000.00      34.052      -3.303      30.749   5.16 0.143 0.818 0.244 0.460     308.935     390.000       7.844   12 
-    390000       78000.00      38.340      20.339      58.679   5.07 0.214 0.625 0.176 0.831     347.837     390.000       8.041   12 
-    400000       80000.00      33.803      12.376      46.180   5.28 0.071 0.667 0.167 0.477     306.682     390.000       8.566   12 
-    410000       82000.00      45.631      13.221      58.851   5.53 0.071 0.500 0.159 0.663     413.984     380.000       9.785   12 
-    420000       84000.00      44.175       4.669      48.845   5.93 0.214 0.667 0.212 0.289     400.780     380.000       7.339   12 
-    430000       86000.00      36.308       8.984      45.292   6.77 0.286 0.200 0.155 0.566     329.404     380.000      10.588   12 
-    440000       88000.00      37.145      14.034      51.179   6.31 0.071 0.900 0.386 0.954     336.995     380.000       7.647   12 
-    450000       90000.00      42.122       1.996      44.118   4.28 0.000 1.000 0.227 0.516     382.155     380.000       7.823   12 
-    460000       92000.00      40.677      11.328      52.005   4.91 0.143 0.667 0.174 1.419     369.044     380.000       7.730   12 
-    470000       94000.00      52.441      -1.631      50.810   6.12 0.214 0.750 0.303 0.864     475.774     380.000       6.947   12 
-    480000       96000.00      39.348      16.342      55.690   7.55 0.000 1.000 0.227 0.625     356.982     380.000       9.100   12 
-    490000       98000.00      34.565       6.320      40.885   4.91 0.071 0.500 0.318 0.235     313.595     380.000       8.340   12 
-    500000      100000.00      37.513      11.864      49.377   7.61 0.000 1.000 0.250 0.571     340.340     380.000       8.756   12 
-    510000      102000.00      30.407      18.891      49.298   4.75 0.143 0.500 0.148 1.251     275.868     370.000       8.768   12 
-    520000      104000.00      30.028      18.843      48.871   7.70 0.071 0.500 0.182 0.804     272.427     370.000      11.611   12 
-    530000      106000.00      38.132       7.229      45.361   4.05 0.071 0.667 0.227 0.341     345.952     370.000       8.715   12 
-    540000      108000.00      27.811      21.179      48.990   4.25 0.000 1.000 0.435 0.671     252.314     370.000       7.900   12 
-    550000      110000.00      38.117       0.654      38.771   4.59 0.214 0.625 0.295 0.545     345.821     370.000       7.384   12 
-    560000      112000.00      40.750       3.462      44.211   5.84 0.143 0.667 0.174 0.266     369.703     370.000       9.587   12 
-    570000      114000.00      45.368       6.824      52.192   5.60 0.071 0.800 0.273 0.528     411.601     370.000       7.985   12 
-    580000      116000.00      39.591       1.309      40.900   5.84 0.214 0.667 0.343 0.213     359.192     370.000       6.949   12 
-    590000      118000.00      36.527      11.944      48.471   5.29 0.071 0.833 0.182 1.129     331.393     370.000       8.652   12 
-    600000      120000.00      50.994       8.671      59.665   7.42 0.071 0.750 0.182 0.858     462.647     370.000       9.443   12 
-    610000      122000.00      47.916       6.377      54.293   4.58 0.214 0.769 0.283 0.852     434.718     360.000       7.218   12 
-    620000      124000.00      36.348      -0.492      35.856   4.51 0.286 0.733 0.294 0.250     329.766     360.000       6.892   12 
-    630000      126000.00      32.036       9.324      41.359   7.19 0.000 1.000 0.245 0.922     290.644     360.000       9.693   12 
-    640000      128000.00      30.964       4.307      35.271   6.19 0.000 1.000 0.545 0.928     280.925     360.000       9.251   12 
-    650000      130000.00      34.127      -0.429      33.698   4.80 0.071 0.667 0.197 0.394     309.618     360.000       7.756   12 
-    660000      132000.00      42.491       6.364      48.855   5.19 0.071 0.857 0.325 0.769     385.501     360.000       8.066   12 
-    670000      134000.00      34.077      11.746      45.823   5.73 0.071 0.800 0.236 0.394     309.163     360.000       9.026   12 
-    680000      136000.00      32.838       1.585      34.423   4.90 0.286 0.556 0.253 0.384     297.923     360.000       7.686   12 
-    690000      138000.00      42.625       2.665      45.290   4.66 0.071 0.833 0.356 0.175     386.719     360.000       8.256   12 
-    700000      140000.00      32.719       2.408      35.128   3.70 0.214 0.727 0.240 0.229     296.846     360.000       7.242   12 
-    710000      142000.00      33.452       0.293      33.745   5.25 0.214 0.500 0.182 0.653     303.494     350.000       8.443   12 
-    720000      144000.00      35.869       7.271      43.140   5.06 0.143 0.500 0.193 0.406     325.425     350.000       9.397   12 
-    730000      146000.00      37.786       3.830      41.616   7.17 0.071 0.500 0.159 0.228     342.814     350.000      10.798   12 
-    740000      148000.00      30.218       3.551      33.768   3.71 0.143 0.750 0.188 0.357     274.152     350.000       7.765   12 
-    750000      150000.00      37.962       3.660      41.622   3.79 0.214 0.625 0.301 0.746     344.411     350.000       7.567   12 
-    760000      152000.00      35.112       8.433      43.545   4.38 0.000 1.000 0.239 0.708     318.553     350.000       7.433   12 
-    770000      154000.00      34.445      -6.653      27.791   3.49 0.214 0.625 0.267 0.423     312.499     350.000       6.896   12 
-    780000      156000.00      29.679       6.263      35.942   4.22 0.000 1.000 0.265 0.421     269.264     350.000       7.321   12 
-    790000      158000.00      34.621      -0.919      33.702   5.93 0.071 0.833 0.167 0.321     314.104     350.000       9.445   12 
-    800000      160000.00      29.702      -3.800      25.902   6.61 0.143 0.800 0.268 0.577     269.468     350.000       7.916   12 
-    810000      162000.00      27.624       0.666      28.290   4.57 0.071 0.875 0.278 0.319     250.618     340.000       7.273   12 
-    820000      164000.00      34.112       0.918      35.030   4.91 0.143 0.600 0.173 0.503     309.483     340.000       8.383   12 
-    830000      166000.00      32.797      -4.360      28.437   4.32 0.214 0.625 0.176 0.684     297.550     340.000       8.238   12 
-    840000      168000.00      29.986     -13.978      16.008   4.89 0.071 0.875 0.312 0.233     272.050     340.000       8.129   12 
-    850000      170000.00      32.284     -10.415      21.869   4.28 0.214 0.625 0.273 0.397     292.899     340.000       7.274   12 
-    860000      172000.00      27.904      11.562      39.466   6.00 0.071 0.800 0.191 0.471     253.163     340.000       9.082   12 
-    870000      174000.00      45.735     -10.071      35.665   4.64 0.143 0.778 0.384 0.516     414.935     340.000       7.250   12 
-    880000      176000.00      37.488      -4.690      32.798   5.74 0.286 0.636 0.393 0.419     340.106     340.000       7.003   12 
-    890000      178000.00      31.721       0.028      31.750   5.41 0.071 0.750 0.239 0.398     287.793     340.000       7.845   12 
-    900000      180000.00      40.713       8.233      48.946   6.43 0.214 0.571 0.188 0.853     369.370     340.000       8.492   12 
-    910000      182000.00      33.955     -20.347      13.608   3.72 0.214 0.700 0.305 0.349     308.059     330.000       7.115   12 
-    920000      184000.00      28.355      -9.054      19.300   4.43 0.357 0.667 0.255 0.796     257.247     330.000       7.076   12 
-    930000      186000.00      35.022      -5.775      29.247   4.47 0.214 0.700 0.345 0.832     317.738     330.000       7.105   12 
-    940000      188000.00      34.123      -9.206      24.917   4.27 0.214 0.786 0.224 0.330     309.582     330.000       7.126   12 
-    950000      190000.00      34.682     -12.186      22.496   8.28 0.071 0.833 0.167 0.708     314.651     330.000      10.081   12 
-    960000      192000.00      21.490     -17.577       3.913   4.62 0.143 0.800 0.314 0.586     194.967     330.000       6.904   12 
-    970000      194000.00      33.578      -7.657      25.921   6.02 0.071 0.833 0.295 1.275     304.637     330.000       8.520   12 
-    980000      196000.00      38.190     -12.054      26.136   6.19 0.214 0.700 0.182 1.118     346.483     330.000       8.933   12 
-    990000      198000.00      36.917      -4.764      32.153   5.51 0.143 0.667 0.386 1.064     334.930     330.000       7.044   12 
-   1000000      200000.00      26.752      10.020      36.772   5.40 0.143 0.800 0.386 0.589     242.709     330.000       7.424   12