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

[unres.git] / examples / unres / new / MREMD / ff_gab / 1L2Y_MREMD_GB058.stat

diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat
deleted file mode 100644 (file)
index 92d6541..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB058.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      36.629      20.936      57.565  12.87 0.000   NaN   NaN 0.931     332.317     390.000      15.552   58 
-     10000        2000.00      39.567       6.183      45.749   6.48 0.000 1.000 0.455 1.876     358.969     390.000       9.296   58 
-     20000        4000.00      36.718       0.329      37.046   5.12 0.000 1.000 0.409 1.523     333.121     390.000       9.185   58 
-     30000        6000.00      42.378     -11.511      30.867   6.59 0.143 0.750 0.438 2.118     384.477     390.000       7.311   58 
-     40000        8000.00      42.407     -14.595      27.812   8.92 0.000 1.000 0.250 3.241     384.739     390.000      11.707   58 
-     50000       10000.00      44.241      -4.173      40.068   8.78 0.071 0.500 0.159 1.803     401.379     390.000      12.080   58 
-     60000       12000.00      34.151      -5.354      28.798   9.87 0.071 0.667 0.167 1.947     309.839     390.000      12.986   58 
-     70000       14000.00      39.003       3.051      42.054   8.42 0.071 0.667 0.152 1.298     353.853     390.000      12.651   58 
-     80000       16000.00      39.992      -0.986      39.006   5.87 0.143 0.714 0.383 2.207     362.830     390.000       7.400   58 
-     90000       18000.00      42.861      -0.003      42.858   6.46 0.071 0.000 0.136 1.413     388.855     390.000      10.425   58 
-    100000       20000.00      36.736     -17.688      19.048   4.65 0.071 0.833 0.364 4.201     333.288     390.000       8.554   58 
-    110000       22000.00      30.800     -21.803       8.997   7.21 0.071 0.833 0.348 1.577     279.433     390.000       7.382   58 
-    120000       24000.00      41.768     -14.868      26.900   6.53 0.000 1.000 0.318 1.845     378.938     390.000       8.426   58 
-    130000       26000.00      50.819       0.439      51.258   5.07 0.000 1.000 0.500 4.622     461.055     390.000       9.416   58 
-    140000       28000.00      35.372       1.654      37.026   9.70 0.000 1.000 0.136 2.902     320.911     390.000      12.213   58 
-    150000       30000.00      33.237     -15.879      17.357   4.65 0.143 0.600 0.309 1.357     301.539     390.000       7.240   58 
-    160000       32000.00      37.449       6.565      44.014   8.22 0.071 0.500 0.159 1.934     339.753     390.000      10.115   58 
-    170000       34000.00      33.718     -24.153       9.565   3.60 0.214 0.000 0.152 3.760     305.911     390.000       8.193   58 
-    180000       36000.00      28.235       5.203      33.438   8.41 0.071 0.500 0.159 1.424     256.163     390.000      12.544   58 
-    190000       38000.00      34.773      -0.337      34.436   6.92 0.071 0.500 0.182 2.039     315.479     390.000       9.793   58 
-    200000       40000.00      41.598       4.693      46.291  10.92 0.000   NaN   NaN 2.211     377.398     390.000      14.699   58 
-    210000       42000.00      47.810      -4.248      43.562   5.74 0.071 0.800 0.500 2.439     433.755     380.000       9.575   58 
-    220000       44000.00      43.204     -11.479      31.725   6.07 0.000 1.000 0.295 2.485     391.966     380.000       8.286   58 
-    230000       46000.00      42.314       0.986      43.300   7.22 0.000 1.000 0.136 1.687     383.896     380.000      11.722   58 
-    240000       48000.00      42.123       5.516      47.638   6.72 0.000   NaN   NaN 1.551     382.160     380.000      11.811   58 
-    250000       50000.00      34.897      -2.224      32.673   8.81 0.000   NaN   NaN 1.546     316.601     380.000      12.382   58 
-    260000       52000.00      37.075      -9.687      27.388   4.23 0.143 0.667 0.394 0.827     336.360     380.000       8.118   58 
-    270000       54000.00      35.164     -19.433      15.731   4.91 0.000 1.000 0.427 1.075     319.026     380.000       8.458   58 
-    280000       56000.00      37.408     -11.946      25.462   4.53 0.000 1.000 0.333 2.078     339.382     380.000       7.945   58 
-    290000       58000.00      33.528       2.891      36.420   7.81 0.071 0.500 0.227 2.345     304.186     380.000      10.818   58 
-    300000       60000.00      36.521      -7.966      28.554   4.84 0.143 0.000 0.136 1.605     331.334     380.000       9.286   58 
-    310000       62000.00      46.292     -15.776      30.516   4.16 0.214 0.700 0.391 1.081     419.988     400.000       7.212   58 
-    320000       64000.00      31.204      14.528      45.732   9.71 0.000   NaN   NaN 1.270     283.098     400.000      13.446   58 
-    330000       66000.00      43.722       7.427      51.149   6.26 0.071 0.667 0.258 2.764     396.665     400.000       9.224   58 
-    340000       68000.00      45.230       6.017      51.247   8.38 0.000 1.000 0.182 2.592     410.346     400.000      12.232   58 
-    350000       70000.00      36.348     -17.122      19.227   6.26 0.143 0.778 0.399 1.883     329.771     400.000       7.199   58 
-    360000       72000.00      37.284     -24.220      13.064   5.85 0.000 1.000 0.364 1.623     338.262     400.000       7.917   58 
-    370000       74000.00      40.905      15.356      56.261   7.12 0.000 1.000 0.364 1.536     371.107     400.000       9.624   58 
-    380000       76000.00      35.218      15.392      50.611   9.37 0.071 0.000 0.136 2.014     319.519     400.000      11.564   58 
-    390000       78000.00      37.707     -17.475      20.232   4.75 0.071 0.750 0.568 1.954     342.098     400.000       8.805   58 
-    400000       80000.00      43.391       3.130      46.521  10.46 0.000 1.000 0.136 1.330     393.666     400.000      14.203   58 
-    410000       82000.00      34.793     -10.507      24.285   8.27 0.143 0.500 0.193 1.178     315.658     390.000      11.131   58 
-    420000       84000.00      32.999     -14.252      18.746   5.61 0.071 0.800 0.336 2.750     299.382     390.000       7.765   58 
-    430000       86000.00      37.110      -8.167      28.943   5.57 0.000 1.000 0.193 2.405     336.682     390.000      10.127   58 
-    440000       88000.00      38.715      -5.585      33.130   8.67 0.000 1.000 0.250 2.158     351.241     390.000      11.726   58 
-    450000       90000.00      33.364      -7.931      25.433   7.01 0.000 1.000 0.295 2.779     302.700     390.000       8.712   58 
-    460000       92000.00      38.016       3.713      41.729  12.66 0.000   NaN   NaN 1.375     344.901     390.000      16.089   58 
-    470000       94000.00      47.818      -9.942      37.877   8.04 0.071 0.750 0.216 1.848     433.833     390.000      11.507   58 
-    480000       96000.00      41.440      -5.831      35.609   9.08 0.000 1.000 0.136 0.777     375.962     390.000      13.040   58 
-    490000       98000.00      33.730     -13.828      19.902   5.83 0.000 1.000 0.465 3.337     306.014     390.000       7.331   58 
-    500000      100000.00      36.951      -3.562      33.389   5.93 0.071 0.750 0.216 2.286     335.237     390.000       9.874   58 
-    510000      102000.00      39.097       1.548      40.645   5.79 0.143 0.500 0.432 2.596     354.707     370.000       7.812   58 
-    520000      104000.00      40.723     -18.893      21.829   5.21 0.071 0.750 0.545 1.260     369.458     370.000       7.735   58 
-    530000      106000.00      37.226      -1.865      35.361   6.99 0.000 1.000 0.291 3.042     337.737     370.000      11.121   58 
-    540000      108000.00      40.704     -14.215      26.489   4.39 0.071 0.750 0.227 2.852     369.290     370.000       8.278   58 
-    550000      110000.00      29.678      -1.533      28.145   5.49 0.143 0.000 0.455 1.367     269.252     370.000       9.209   58 
-    560000      112000.00      23.108      -0.472      22.636  10.26 0.143 0.000 0.136 2.042     209.644     370.000      13.720   58 
-    570000      114000.00      23.512      -2.568      20.944   7.20 0.071 0.500 0.182 1.255     213.315     370.000      11.074   58 
-    580000      116000.00      31.969      -3.288      28.681   8.66 0.071 0.500 0.159 1.899     290.041     370.000      11.889   58 
-    590000      118000.00      44.114     -12.108      32.006   6.72 0.214 0.250 0.227 1.741     400.226     370.000       9.042   58 
-    600000      120000.00      39.761       6.406      46.167   6.61 0.071 0.667 0.288 3.751     360.730     370.000       8.946   58 
-    610000      122000.00      43.353     -22.265      21.088   5.73 0.143 0.750 0.324 1.832     393.322     360.000       7.074   58 
-    620000      124000.00      30.782     -26.044       4.737   6.70 0.286 0.333 0.159 0.855     279.266     360.000       9.390   58 
-    630000      126000.00      38.366     -29.376       8.990   4.60 0.143 0.714 0.234 1.298     348.079     360.000       7.700   58 
-    640000      128000.00      27.480      -4.428      23.052   6.85 0.071 0.800 0.218 1.791     249.312     360.000      10.063   58 
-    650000      130000.00      30.959       5.958      36.917   9.00 0.000   NaN   NaN 1.045     280.875     360.000      12.854   58 
-    660000      132000.00      36.900     -21.816      15.085   5.00 0.071 0.833 0.318 0.690     334.779     360.000       8.074   58 
-    670000      134000.00      30.941      -1.651      29.290   8.36 0.143 0.600 0.164 2.287     280.710     360.000      10.145   58 
-    680000      136000.00      30.750     -10.916      19.834   4.98 0.071 0.909 0.504 2.567     278.983     360.000       6.705   58 
-    690000      138000.00      35.672      -7.511      28.161   6.50 0.214 0.000 0.152 1.469     323.632     360.000      10.531   58 
-    700000      140000.00      37.545     -15.349      22.196   4.89 0.071 0.800 0.536 1.815     340.627     360.000       8.089   58 
-    710000      142000.00      33.229      -2.187      31.042   8.50 0.071 0.500 0.136 1.660     301.473     400.000      12.895   58 
-    720000      144000.00      31.159      -4.603      26.557   7.92 0.000 1.000 0.136 2.808     282.692     400.000      11.846   58 
-    730000      146000.00      44.272      -2.641      41.631   6.16 0.000 1.000 0.136 2.971     401.659     400.000       7.946   58 
-    740000      148000.00      44.594      -5.428      39.166   6.86 0.071 0.667 0.197 1.865     404.577     400.000      10.805   58 
-    750000      150000.00      49.840     -15.258      34.581   7.64 0.000 1.000 0.330 1.858     452.172     400.000       8.224   58 
-    760000      152000.00      38.300     -10.726      27.574   5.61 0.143 0.333 0.379 2.691     347.476     400.000       8.526   58 
-    770000      154000.00      29.204       5.018      34.222   6.37 0.071 0.500 0.159 1.279     264.952     400.000       9.306   58 
-    780000      156000.00      43.725      -2.130      41.595   6.14 0.143 0.600 0.318 2.054     396.698     400.000       7.547   58 
-    790000      158000.00      37.627       4.505      42.132   5.51 0.071 0.000 0.182 2.626     341.374     400.000       9.601   58 
-    800000      160000.00      38.890       4.960      43.850   6.28 0.071 0.800 0.209 1.607     352.828     400.000       9.034   58 
-    810000      162000.00      42.774       4.296      47.070   5.52 0.071 0.667 0.167 3.347     388.072     400.000       9.678   58 
-    820000      164000.00      30.396      -8.662      21.734   5.21 0.071 0.833 0.273 1.298     275.768     400.000       9.066   58 
-    830000      166000.00      41.300       4.959      46.259   9.20 0.000   NaN   NaN 2.122     374.699     400.000      13.040   58 
-    840000      168000.00      43.901      -5.772      38.130   9.36 0.071 0.667 0.227 2.490     398.296     400.000      11.451   58 
-    850000      170000.00      29.465       1.622      31.087   5.35 0.071 0.500 0.136 3.339     267.324     400.000      10.226   58 
-    860000      172000.00      35.364      -7.379      27.985   6.16 0.000 1.000 0.500 1.515     320.843     400.000       8.790   58 
-    870000      174000.00      45.729       0.188      45.917   7.15 0.071 0.667 0.182 2.747     414.874     400.000      10.599   58 
-    880000      176000.00      48.177       0.335      48.512   7.67 0.000   NaN   NaN 1.835     437.089     400.000      10.918   58 
-    890000      178000.00      41.619      -5.559      36.060   5.53 0.071 0.857 0.442 3.328     377.587     400.000       7.993   58 
-    900000      180000.00      30.923     -11.246      19.677   7.06 0.000 1.000 0.382 1.637     280.546     400.000       7.736   58 
-    910000      182000.00      43.163      -5.599      37.564   5.63 0.071 0.750 0.284 1.997     391.596     400.000       9.627   58 
-    920000      184000.00      40.122      -9.344      30.778   8.29 0.000   NaN   NaN 2.501     364.007     400.000      12.417   58 
-    930000      186000.00      40.495      -3.769      36.726   5.31 0.000 1.000 0.606 2.172     367.392     400.000       9.741   58 
-    940000      188000.00      38.223      -4.101      34.122   6.41 0.214 0.000 0.182 3.867     346.782     400.000       9.169   58 
-    950000      190000.00      30.015       0.676      30.691   7.66 0.000 1.000 0.227 1.945     272.312     400.000      11.639   58 
-    960000      192000.00      29.562      -1.783      27.779   8.58 0.000 1.000 0.136 3.266     268.200     400.000      10.469   58 
-    970000      194000.00      43.914      -2.662      41.253   5.71 0.000   NaN   NaN 4.402     398.414     400.000      10.654   58 
-    980000      196000.00      49.207       2.092      51.299   9.33 0.071 0.500 0.136 2.314     446.430     400.000      12.858   58 
-    990000      198000.00      34.754       0.930      35.684   7.06 0.000 1.000 0.136 2.455     315.310     400.000      12.323   58 
-   1000000      200000.00      40.465      -6.286      34.179   9.77 0.071 0.500 0.159 2.560     367.121     400.000      13.547   58