New examples based on current version of UNRES.

[unres.git] / examples / unres / new / MREMD / ff_gab / 1L2Y_MREMD_GB062.stat

diff --git a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat b/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat
deleted file mode 100644 (file)
index f4d67b1..0000000
--- a/examples/unres/new/MREMD/ff_gab/1L2Y_MREMD_GB062.stat
+++ /dev/null
@@ -1,101 +0,0 @@
-         0           0.00      40.680      20.946      61.626  12.87 0.000   NaN   NaN 0.931     369.072     400.000      15.552   62 
-     10000        2000.00      46.720      -9.807      36.914   3.95 0.071 0.667 0.258 2.025     423.869     400.000       7.708   62 
-     20000        4000.00      38.948      -6.124      32.824  11.84 0.071 0.000 0.136 1.956     353.354     400.000      14.822   62 
-     30000        6000.00      49.885       4.408      54.294   8.88 0.000   NaN   NaN 2.229     452.586     400.000      13.432   62 
-     40000        8000.00      47.729       2.717      50.446   6.90 0.000   NaN   NaN 1.918     433.023     400.000      10.295   62 
-     50000       10000.00      38.298      -1.570      36.728   7.18 0.000 1.000 0.273 1.367     347.457     400.000      11.425   62 
-     60000       12000.00      43.130       0.003      43.133   9.31 0.071 0.500 0.182 2.722     391.297     400.000      12.248   62 
-     70000       14000.00      37.514       4.210      41.724   8.54 0.071 0.500 0.205 2.743     340.344     400.000      10.821   62 
-     80000       16000.00      35.013      -1.467      33.546   6.00 0.000 1.000 0.182 2.671     317.657     400.000      10.019   62 
-     90000       18000.00      39.529       2.470      41.999   7.57 0.000 1.000 0.273 2.372     358.625     400.000       9.906   62 
-    100000       20000.00      39.725      -2.337      37.387   5.42 0.000 1.000 0.333 1.690     360.404     400.000       9.288   62 
-    110000       22000.00      26.989       5.553      32.542  10.50 0.000   NaN   NaN 1.968     244.855     390.000      12.898   62 
-    120000       24000.00      37.001      -5.264      31.736   6.79 0.214 0.500 0.159 2.436     335.690     390.000       9.504   62 
-    130000       26000.00      44.379      -9.334      35.045   6.93 0.000 1.000 0.438 1.822     402.626     390.000       7.994   62 
-    140000       28000.00      42.600       4.375      46.975   6.01 0.000 1.000 0.386 1.946     386.486     390.000       8.077   62 
-    150000       30000.00      30.747      -1.692      29.055   6.62 0.000 1.000 0.182 1.480     278.957     390.000      11.743   62 
-    160000       32000.00      44.350      -5.056      39.294   6.52 0.143 0.500 0.273 1.132     402.366     390.000       8.637   62 
-    170000       34000.00      54.098      -4.699      49.399   7.83 0.000 1.000 0.273 2.736     490.805     390.000       9.449   62 
-    180000       36000.00      36.374      -5.913      30.461   4.65 0.071 0.750 0.295 2.281     330.004     390.000       8.359   62 
-    190000       38000.00      42.527      -4.630      37.898   5.57 0.000 1.000 0.136 2.474     385.830     390.000       9.915   62 
-    200000       40000.00      35.004      -2.991      32.014   7.53 0.071 0.500 0.136 1.951     317.578     390.000      11.833   62 
-    210000       42000.00      41.880       4.550      46.431   6.96 0.000 1.000 0.182 1.531     379.959     400.000      10.401   62 
-    220000       44000.00      39.921      -0.944      38.978   4.97 0.000 1.000 0.312 1.015     362.188     400.000       7.390   62 
-    230000       46000.00      48.613      -0.489      48.125   4.99 0.071 0.500 0.182 2.779     441.046     400.000       8.842   62 
-    240000       48000.00      40.906      -1.988      38.918   6.04 0.000 1.000 0.136 1.676     371.116     400.000       9.369   62 
-    250000       50000.00      38.295       2.903      41.198   4.25 0.000   NaN   NaN 2.736     347.435     400.000       9.646   62 
-    260000       52000.00      44.295      -1.127      43.169   5.66 0.000 1.000 0.439 2.267     401.869     400.000       7.937   62 
-    270000       54000.00      41.497       6.965      48.462   5.40 0.000 1.000 0.557 2.673     376.486     400.000       8.792   62 
-    280000       56000.00      46.455       1.408      47.863   8.04 0.071 0.500 0.136 2.551     421.462     400.000      12.442   62 
-    290000       58000.00      43.543      -3.594      39.948   7.34 0.071 0.500 0.159 1.329     395.040     400.000      11.037   62 
-    300000       60000.00      37.505       7.260      44.766   7.95 0.071 0.667 0.242 1.801     340.269     400.000      10.404   62 
-    310000       62000.00      35.628      -4.589      31.038   4.63 0.000   NaN   NaN 2.228     323.232     400.000       9.182   62 
-    320000       64000.00      45.271       0.061      45.333   6.34 0.000 1.000 0.500 2.735     410.724     400.000       7.685   62 
-    330000       66000.00      40.442       0.836      41.278   7.36 0.071 0.750 0.205 2.043     366.912     400.000      10.350   62 
-    340000       68000.00      35.913     -17.724      18.189   6.63 0.000 1.000 0.427 2.405     325.818     400.000       7.827   62 
-    350000       70000.00      38.113      -1.569      36.544   5.95 0.071 0.750 0.432 2.739     345.783     400.000       7.443   62 
-    360000       72000.00      40.070       5.863      45.933   5.98 0.071 0.833 0.409 4.768     363.537     400.000       8.388   62 
-    370000       74000.00      41.515      -5.449      36.065   6.71 0.000 1.000 0.227 1.251     376.641     400.000      11.134   62 
-    380000       76000.00      42.570      -1.680      40.890   6.68 0.000 1.000 0.227 0.989     386.220     400.000       9.251   62 
-    390000       78000.00      45.507       5.980      51.487   5.59 0.000 1.000 0.212 2.064     412.864     400.000       8.010   62 
-    400000       80000.00      39.223      14.596      53.819   9.14 0.000 1.000 0.227 2.919     355.851     400.000      12.603   62 
-    410000       82000.00      34.651      -7.922      26.729   5.29 0.071 0.800 0.200 1.509     314.369     390.000       7.883   62 
-    420000       84000.00      34.497       5.545      40.043   5.16 0.071 0.833 0.333 2.230     312.977     390.000       8.252   62 
-    430000       86000.00      40.273      -9.415      30.859   6.92 0.214 0.667 0.273 2.460     365.380     390.000       8.235   62 
-    440000       88000.00      28.587       6.311      34.898   9.06 0.071 0.500 0.159 1.184     259.356     390.000      13.409   62 
-    450000       90000.00      40.538      -6.267      34.272   8.02 0.071 0.500 0.159 1.439     367.783     390.000      12.060   62 
-    460000       92000.00      41.340      -1.772      39.568   4.86 0.071 0.500 0.159 1.689     375.053     390.000       9.034   62 
-    470000       94000.00      37.900       6.598      44.498   6.36 0.143 0.333 0.197 1.511     343.852     390.000      10.009   62 
-    480000       96000.00      33.278      -4.288      28.990   4.95 0.071 0.833 0.485 2.687     301.916     390.000       8.345   62 
-    490000       98000.00      39.571       5.302      44.873   7.17 0.000   NaN   NaN 1.369     359.008     390.000      11.152   62 
-    500000      100000.00      38.229       5.426      43.655  11.56 0.071 0.750 0.227 1.953     346.837     390.000      13.999   62 
-    510000      102000.00      39.700      -5.416      34.284   4.89 0.143 0.600 0.318 1.656     360.181     390.000       7.125   62 
-    520000      104000.00      31.886      -0.452      31.434   6.06 0.071 0.750 0.216 1.291     289.284     390.000       9.614   62 
-    530000      106000.00      37.614      -2.424      35.190   8.87 0.071 0.000 0.182 1.152     341.253     390.000      12.044   62 
-    540000      108000.00      41.477     -19.287      22.190   7.05 0.214 0.700 0.359 1.343     376.305     390.000       7.461   62 
-    550000      110000.00      30.738       3.584      34.322   6.18 0.143 0.500 0.193 1.871     278.875     390.000       7.894   62 
-    560000      112000.00      43.416      -3.194      40.222  11.55 0.000 1.000 0.182 2.358     393.893     390.000      14.735   62 
-    570000      114000.00      43.303      10.096      53.399   6.31 0.071 0.667 0.197 2.965     392.868     390.000       9.809   62 
-    580000      116000.00      46.304      -0.402      45.902   4.03 0.071 0.750 0.273 2.051     420.097     390.000       9.222   62 
-    590000      118000.00      39.379     -10.354      29.025   9.88 0.000   NaN   NaN 1.075     357.264     390.000      14.706   62 
-    600000      120000.00      33.485      -7.614      25.871   6.66 0.071 0.500 0.295 1.407     303.794     390.000       9.183   62 
-    610000      122000.00      39.411      -7.850      31.562   7.51 0.071 0.667 0.167 0.948     357.561     390.000      10.452   62 
-    620000      124000.00      37.077      -1.853      35.224  10.56 0.071 0.000 0.136 2.238     336.383     390.000      14.364   62 
-    630000      126000.00      50.430      -5.396      45.035   6.76 0.000 1.000 0.216 1.352     457.530     390.000       8.932   62 
-    640000      128000.00      41.095      -3.390      37.705   5.28 0.000 1.000 0.523 1.654     372.835     390.000       8.963   62 
-    650000      130000.00      41.704     -18.746      22.958   6.53 0.071 0.800 0.191 2.197     378.357     390.000       7.428   62 
-    660000      132000.00      48.091      -1.126      46.965   9.69 0.143 0.333 0.136 2.386     436.311     390.000      12.552   62 
-    670000      134000.00      49.724      -1.233      48.492   5.94 0.071 0.800 0.245 3.093     451.126     390.000       9.936   62 
-    680000      136000.00      39.392      -6.939      32.453   3.85 0.071 0.833 0.341 1.216     357.382     390.000       7.410   62 
-    690000      138000.00      41.580      -4.874      36.706   6.37 0.000   NaN   NaN 4.870     377.235     390.000      11.067   62 
-    700000      140000.00      31.314      -3.566      27.747   3.73 0.071 0.667 0.136 1.562     284.092     390.000       8.328   62 
-    710000      142000.00      42.771      -4.399      38.372   5.58 0.071 0.500 0.136 1.232     388.038     390.000      10.535   62 
-    720000      144000.00      28.332      -6.246      22.085   7.95 0.071 0.667 0.152 1.932     257.040     390.000      12.344   62 
-    730000      146000.00      43.922      -0.554      43.368   7.21 0.143 0.600 0.227 2.456     398.479     390.000       8.860   62 
-    740000      148000.00      29.885      -3.488      26.397   6.02 0.143 0.667 0.303 0.977     271.129     390.000       8.864   62 
-    750000      150000.00      37.260      -7.140      30.120   8.11 0.000 1.000 0.273 1.658     338.044     390.000      10.283   62 
-    760000      152000.00      32.065      -3.156      28.909   7.82 0.071 0.500 0.205 3.293     290.908     390.000      11.259   62 
-    770000      154000.00      34.305      -8.170      26.136   6.53 0.000 1.000 0.402 2.792     311.236     390.000       7.125   62 
-    780000      156000.00      40.432     -12.738      27.694   7.18 0.071 0.000 0.136 3.399     366.819     390.000      11.395   62 
-    790000      158000.00      31.323      -8.001      23.322   5.93 0.071 0.857 0.338 1.737     284.175     390.000       7.934   62 
-    800000      160000.00      32.394       0.394      32.788   4.08 0.000 1.000 0.394 1.578     293.892     390.000       7.945   62 
-    810000      162000.00      43.866     -11.356      32.510  11.79 0.071 0.000 0.136 2.168     397.978     380.000      15.090   62 
-    820000      164000.00      30.886      -8.838      22.048   6.02 0.000 1.000 0.336 1.965     280.218     380.000       8.984   62 
-    830000      166000.00      30.927      -4.393      26.534   4.57 0.000 1.000 0.500 1.451     280.585     380.000       8.085   62 
-    840000      168000.00      38.535      -0.527      38.008   5.64 0.143 0.600 0.591 1.262     349.610     380.000       7.872   62 
-    850000      170000.00      36.386     -10.783      25.603   6.20 0.000 1.000 0.500 2.107     330.115     380.000       8.486   62 
-    860000      172000.00      37.595      -1.641      35.954   7.47 0.143 0.600 0.273 1.708     341.079     380.000       9.598   62 
-    870000      174000.00      52.871      -2.610      50.261   7.60 0.000 1.000 0.545 2.282     479.675     380.000       8.075   62 
-    880000      176000.00      32.579     -15.542      17.038   6.22 0.000 1.000 0.344 1.974     295.576     380.000       7.941   62 
-    890000      178000.00      41.050      -9.949      31.101   7.61 0.071 0.750 0.193 2.228     372.424     380.000       9.158   62 
-    900000      180000.00      37.485      -0.509      36.977   6.95 0.000 1.000 0.250 1.970     340.086     380.000       7.938   62 
-    910000      182000.00      45.477     -11.484      33.993   6.52 0.214 0.727 0.219 1.182     412.595     380.000       7.127   62 
-    920000      184000.00      38.531     -11.073      27.459   6.95 0.000 1.000 0.205 1.977     349.575     380.000      10.875   62 
-    930000      186000.00      31.767       2.358      34.125   5.43 0.000 1.000 0.136 3.053     288.206     380.000       9.384   62 
-    940000      188000.00      34.701     -11.343      23.358   4.93 0.071 0.750 0.159 1.703     314.827     380.000       8.968   62 
-    950000      190000.00      38.327       7.521      45.849   9.96 0.071 0.000 0.136 1.846     347.725     380.000      12.007   62 
-    960000      192000.00      44.264      -9.853      34.410   5.21 0.071 0.667 0.515 1.404     401.583     380.000       9.002   62 
-    970000      194000.00      38.620      -9.059      29.561   5.34 0.000 1.000 0.500 2.461     350.378     380.000       8.666   62 
-    980000      196000.00      36.463       1.607      38.070   5.18 0.000 1.000 0.379 2.581     330.807     380.000       8.561   62 
-    990000      198000.00      29.255     -11.668      17.587   5.35 0.143 0.667 0.311 1.502     265.420     380.000       8.112   62 
-   1000000      200000.00      39.860     -10.047      29.813   5.58 0.071 0.000 0.136 1.795     361.629     380.000      10.267   62