Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres into adasko

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

diff --git a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat b/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
deleted file mode 100644 (file)
index 6840a53..0000000
--- a/examples/unres/new/REMD/with_constrains/Berendsen/ff_gab/1L2Y_REMD_GB010.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.002     668.455     708.457   0.00 1.000 0.000 0.308 8.656     362.917     350.000       7.001   10 
-     10000        2000.00      34.399      -8.013      26.386   5.87 0.214 0.571 0.208 1.037     312.081     350.000       7.356   10 
-     20000        4000.00      29.719       5.824      35.543   6.30 0.214 0.000 0.152 2.012     269.626     350.000      10.080   10 
-     30000        6000.00      30.878     -15.039      15.840   5.73 0.143 0.818 0.318 2.555     280.145     350.000       6.765   10 
-     40000        8000.00      25.334      -6.965      18.369   6.08 0.214 0.400 0.364 1.776     229.846     350.000       7.757   10 
-     50000       10000.00      33.785     -15.890      17.895   5.99 0.286 0.333 0.159 1.417     306.511     350.000       9.628   10 
-     60000       12000.00      37.090     -16.812      20.277   2.99 0.214 0.625 0.290 1.775     336.497     350.000       7.064   10 
-     70000       14000.00      29.094       2.246      31.340   5.92 0.143 0.333 0.167 1.745     263.958     350.000       9.859   10 
-     80000       16000.00      39.037     -16.566      22.471   5.33 0.071 0.857 0.416 2.540     354.163     350.000       8.165   10 
-     90000       18000.00      28.010      -3.558      24.452   7.72 0.071 0.500 0.136 1.975     254.119     350.000      10.926   10 
-    100000       20000.00      26.443       2.516      28.959   8.72 0.071 0.800 0.182 2.266     239.900     350.000      10.778   10 
-    110000       22000.00      27.644     -16.853      10.791   5.80 0.143 0.714 0.253 3.313     250.801     380.000       8.799   10 
-    120000       24000.00      42.268     -11.769      30.499  10.04 0.071 0.000 0.136 1.429     383.474     380.000      14.315   10 
-    130000       26000.00      30.458       5.032      35.490   5.58 0.000 1.000 0.182 2.713     276.334     380.000       8.949   10 
-    140000       28000.00      39.471      -1.597      37.874   6.56 0.071 0.000 0.182 1.768     358.105     380.000      10.467   10 
-    150000       30000.00      31.451      -3.393      28.058   4.95 0.143 0.600 0.245 1.652     285.342     380.000       8.274   10 
-    160000       32000.00      39.192      -3.313      35.878   5.14 0.143 0.333 0.394 2.883     355.568     380.000       8.422   10 
-    170000       34000.00      29.450       7.866      37.316   8.34 0.143 0.333 0.152 1.967     267.184     380.000      12.485   10 
-    180000       36000.00      36.480       2.680      39.160   8.21 0.000 1.000 0.227 1.727     330.964     380.000      10.189   10 
-    190000       38000.00      30.336       5.592      35.928   7.65 0.000   NaN   NaN 1.402     275.226     380.000       8.873   10 
-    200000       40000.00      38.356      -5.955      32.401   5.34 0.143 0.714 0.214 0.694     347.982     380.000       8.733   10 
-    210000       42000.00      47.396      -5.285      42.111   4.93 0.000 1.000 0.470 2.108     429.998     370.000       7.978   10 
-    220000       44000.00      38.468      -9.328      29.141   3.78 0.286 0.636 0.293 1.371     349.005     370.000       6.991   10 
-    230000       46000.00      38.161       0.672      38.833   6.72 0.143 0.333 0.167 4.299     346.213     370.000      10.934   10 
-    240000       48000.00      33.627     -12.682      20.946   4.44 0.071 0.800 0.364 3.577     305.084     370.000       7.696   10 
-    250000       50000.00      36.434      -7.570      28.864   4.54 0.071 0.500 0.136 1.967     330.548     370.000       8.418   10 
-    260000       52000.00      30.926      -1.255      29.671   8.69 0.286 0.200 0.155 1.180     280.575     370.000      11.347   10 
-    270000       54000.00      30.923      -5.371      25.552   6.90 0.143 0.600 0.227 1.706     280.550     370.000      10.094   10 
-    280000       56000.00      35.334      -0.179      35.155   5.14 0.071 0.750 0.455 0.206     320.568     370.000       8.534   10 
-    290000       58000.00      40.303      14.758      55.061   6.66 0.000 1.000 0.455 2.766     365.651     370.000       9.292   10 
-    300000       60000.00      35.471       7.729      43.200   7.29 0.000   NaN   NaN 1.205     321.811     370.000      11.810   10 
-    310000       62000.00      31.868       1.873      33.741   5.26 0.214 0.500 0.197 2.806     289.119     360.000       8.149   10 
-    320000       64000.00      38.660       0.031      38.690   9.17 0.071 0.000 0.182 2.780     350.741     360.000      11.860   10 
-    330000       66000.00      43.642      -8.837      34.805   4.50 0.214 0.700 0.491 2.197     395.946     360.000       7.406   10 
-    340000       68000.00      33.527     -18.299      15.228   5.33 0.000 1.000 0.500 1.387     304.177     360.000       7.600   10 
-    350000       70000.00      37.301      -6.774      30.526   4.95 0.000 1.000 0.485 1.792     338.411     360.000       7.799   10 
-    360000       72000.00      36.482     -11.015      25.466   4.96 0.143 0.800 0.318 1.510     330.979     360.000       7.612   10 
-    370000       74000.00      41.720     -12.533      29.187   6.77 0.071 0.000 0.182 2.932     378.505     360.000      10.503   10 
-    380000       76000.00      31.056      -4.825      26.231   5.88 0.143 0.000 0.159 2.252     281.754     360.000       9.823   10 
-    390000       78000.00      39.286       3.696      42.982   7.42 0.000   NaN   NaN 2.046     356.423     360.000      10.526   10 
-    400000       80000.00      31.914      -0.230      31.683   6.42 0.143 0.500 0.216 3.867     289.536     360.000       8.107   10 
-    410000       82000.00      36.138     -24.568      11.570   4.92 0.071 0.857 0.331 1.385     327.863     350.000       7.830   10 
-    420000       84000.00      41.253      -3.003      38.250   7.26 0.071 0.750 0.216 1.905     374.265     350.000      10.448   10 
-    430000       86000.00      32.394     -18.302      14.092   4.84 0.000 1.000 0.580 2.309     293.897     350.000       8.184   10 
-    440000       88000.00      40.342      11.538      51.880   9.59 0.000   NaN   NaN 1.659     366.004     350.000      12.872   10 
-    450000       90000.00      30.754      -4.754      26.000   4.32 0.214 0.400 0.164 2.077     279.013     350.000       9.636   10 
-    460000       92000.00      25.305      -3.195      22.110   6.04 0.000 1.000 0.227 1.468     229.577     350.000       8.697   10 
-    470000       94000.00      30.230      -5.312      24.917   3.40 0.214 0.700 0.364 1.218     274.260     350.000       7.553   10 
-    480000       96000.00      43.513      10.786      54.299   8.14 0.000   NaN   NaN 1.743     394.770     350.000      13.004   10 
-    490000       98000.00      32.949     -16.151      16.797   4.57 0.143 0.750 0.290 1.455     298.926     350.000       7.287   10 
-    500000      100000.00      40.601      -8.008      32.593   7.02 0.286 0.500 0.210 1.719     368.352     350.000       7.560   10 
-    510000      102000.00      41.461      13.787      55.248   7.18 0.071 0.500 0.136 1.161     376.158     400.000      10.929   10 
-    520000      104000.00      45.525      10.936      56.461   9.33 0.000 1.000 0.227 1.236     413.023     400.000      13.160   10 
-    530000      106000.00      33.391       5.798      39.189   7.44 0.143 0.333 0.167 2.047     302.941     400.000       9.566   10 
-    540000      108000.00      40.373      11.581      51.954   5.90 0.000   NaN   NaN 1.753     366.284     400.000       9.717   10 
-    550000      110000.00      37.493      12.610      50.103   5.40 0.071 0.750 0.261 4.085     340.158     400.000       7.867   10 
-    560000      112000.00      31.864       6.045      37.909   7.13 0.000 1.000 0.182 1.641     289.084     400.000       9.883   10 
-    570000      114000.00      39.108       6.356      45.464   9.58 0.071 0.500 0.159 2.637     354.811     400.000      12.905   10 
-    580000      116000.00      28.005       4.868      32.872   5.62 0.071 0.667 0.273 1.539     254.072     400.000       7.600   10 
-    590000      118000.00      44.336      -4.329      40.007   6.79 0.143 0.333 0.182 1.624     402.243     400.000       8.869   10 
-    600000      120000.00      41.128      -4.816      36.312   4.48 0.071 0.500 0.182 1.986     373.131     400.000       9.037   10 
-    610000      122000.00      49.403       7.816      57.218   7.36 0.071 0.000 0.182 3.413     448.208     390.000      11.509   10 
-    620000      124000.00      40.027       6.045      46.072  11.57 0.071 0.000 0.182 1.243     363.142     390.000      13.809   10 
-    630000      126000.00      44.197      -1.897      42.301   6.03 0.143 0.500 0.182 1.786     400.980     390.000       9.568   10 
-    640000      128000.00      42.174      -2.158      40.016   8.11 0.000 1.000 0.205 1.038     382.625     390.000      10.648   10 
-    650000      130000.00      33.924       0.142      34.066   8.77 0.071 0.500 0.205 2.442     307.776     390.000      10.184   10 
-    660000      132000.00      43.847      21.368      65.215   9.42 0.000 1.000 0.136 1.428     397.805     390.000      12.751   10 
-    670000      134000.00      30.512       0.970      31.483   8.54 0.071 0.667 0.212 1.383     276.822     390.000      10.013   10 
-    680000      136000.00      39.003      11.806      50.808   6.65 0.071 0.667 0.409 2.820     353.851     390.000       9.314   10 
-    690000      138000.00      41.326       5.105      46.430   9.59 0.000   NaN   NaN 2.390     374.926     390.000      12.368   10 
-    700000      140000.00      43.201       8.666      51.867   8.42 0.214 0.250 0.148 1.339     391.938     390.000      12.531   10 
-    710000      142000.00      33.590       1.139      34.729  11.60 0.143 0.000 0.136 1.601     304.747     400.000      14.533   10 
-    720000      144000.00      37.884       1.345      39.229  11.42 0.071 0.000 0.136 1.327     343.706     400.000      14.707   10 
-    730000      146000.00      38.350      13.241      51.591   4.63 0.071 0.500 0.182 3.063     347.929     400.000       8.430   10 
-    740000      148000.00      47.596       5.226      52.822   9.23 0.000   NaN   NaN 3.146     431.816     400.000      11.884   10 
-    750000      150000.00      42.110       0.416      42.527   5.15 0.071 0.500 0.386 1.832     382.048     400.000       8.417   10 
-    760000      152000.00      39.258      25.784      65.042   7.25 0.000 1.000 0.500 1.301     356.169     400.000       9.560   10 
-    770000      154000.00      41.023      10.559      51.582   6.69 0.000 1.000 0.136 1.427     372.182     400.000      10.584   10 
-    780000      156000.00      45.223       1.235      46.458   6.95 0.071 0.667 0.182 3.583     410.290     400.000       9.710   10 
-    790000      158000.00      31.679      -4.649      27.029   4.04 0.214 0.571 0.338 3.263     287.404     400.000       7.825   10 
-    800000      160000.00      35.016       2.130      37.147   4.48 0.143 0.600 0.545 1.546     317.686     400.000       7.576   10 
-    810000      162000.00      40.604       7.257      47.861   7.31 0.143 0.333 0.182 1.790     368.384     390.000      10.715   10 
-    820000      164000.00      38.671       7.394      46.065   8.18 0.000 1.000 0.227 1.877     350.843     390.000      12.373   10 
-    830000      166000.00      41.105      -3.405      37.700   4.62 0.071 0.833 0.318 1.606     372.930     390.000       8.229   10 
-    840000      168000.00      39.827       0.304      40.131   4.55 0.071 0.750 0.443 2.750     361.328     390.000       8.505   10 
-    850000      170000.00      30.033       7.855      37.888  10.26 0.000   NaN   NaN 2.971     272.475     390.000      12.982   10 
-    860000      172000.00      33.214       4.671      37.886   6.21 0.071 0.667 0.167 1.473     301.336     390.000       7.654   10 
-    870000      174000.00      34.978       5.360      40.338   7.21 0.000 1.000 0.227 2.018     317.339     390.000      11.450   10 
-    880000      176000.00      41.438       4.028      45.466   5.81 0.071 0.000 0.136 1.872     375.948     390.000      10.656   10 
-    890000      178000.00      31.246       6.029      37.275  10.42 0.143 0.333 0.167 1.420     283.481     390.000      14.157   10 
-    900000      180000.00      33.271      15.251      48.522   8.39 0.071 0.000 0.136 1.230     301.852     390.000      11.666   10 
-    910000      182000.00      31.281      -7.162      24.118   7.96 0.071 0.500 0.182 1.560     283.796     400.000       9.580   10 
-    920000      184000.00      40.299      -4.977      35.322   6.54 0.071 0.500 0.159 1.329     365.609     400.000      10.239   10 
-    930000      186000.00      40.359       9.872      50.231   7.24 0.071 0.500 0.159 1.964     366.156     400.000       9.917   10 
-    940000      188000.00      37.292      12.260      49.552   5.20 0.143 0.714 0.240 1.449     338.335     400.000       8.077   10 
-    950000      190000.00      25.375       5.703      31.079   7.63 0.071 0.000 0.182 2.548     230.220     400.000      10.415   10 
-    960000      192000.00      39.892       1.617      41.509   6.48 0.000 1.000 0.136 1.863     361.923     400.000      10.221   10 
-    970000      194000.00      36.654      10.932      47.587   9.81 0.000 1.000 0.227 1.524     332.548     400.000      12.657   10 
-    980000      196000.00      39.692       6.872      46.564   7.16 0.143 0.600 0.182 1.965     360.107     400.000      10.479   10 
-    990000      198000.00      35.841       2.347      38.188   4.51 0.071 0.750 0.205 1.454     325.168     400.000       8.262   10 
-   1000000      200000.00      32.277       6.867      39.143   5.98 0.143 0.333 0.136 2.669     292.831     400.000       9.839   10