dynamic SS bond tests
[unres.git] / examples / unres / new / MD / DYN_SS / ss / small_GB000.stat
index e2d7135..eb8d6ab 100644 (file)
@@ -1,51 +1,51 @@
-         0           0.00      38.815      81.991     120.806       4.304     383.220     400.000      14.005    0 
-      1000          91.55      40.042       3.650      43.692       1.739     395.340     400.000      15.184    0 
-      2000         184.13      42.144      12.387      54.531       1.760     416.086     400.000      15.629    0 
-      3000         272.39      41.910       1.782      43.692       1.357     413.784     400.000      15.690    0 
-      4000         352.76      41.697       5.619      47.315       1.674     411.672     400.000      15.006    0 
-      5000         433.98      41.152       3.096      44.248       0.007     406.298     400.000      14.534    0 
-      6000         511.55      40.512      -4.370      36.142       0.920     399.978     400.000      15.078    0 
-      7000         580.99      40.447      -5.238      35.209       0.001     399.331     400.000      16.320    0 
-      8000         659.51      39.091       4.607      43.698       0.888     385.948     400.000      16.419    0 
-      9000         747.24      43.663      -6.435      37.228       2.010     431.084     400.000      16.481    0 
-     10000         828.92      39.494       1.746      41.240       1.192     389.927     400.000      15.400    0 
-     11000         908.83      40.223      -4.162      36.060       0.006     397.119     400.000      15.376    0 
-     12000         999.87      39.942       1.694      41.636       1.692     394.346     400.000      14.782    0 
-     13000        1088.79      40.503       0.747      41.249       0.000     399.884     400.000      15.218    0 
-     14000        1164.42      40.929      -5.357      35.572       2.110     404.097     400.000      16.682    0 
-     15000        1251.89      39.010      -5.308      33.702       1.853     385.145     400.000      16.634    0 
-     16000        1325.65      37.938      -5.319      32.619       1.648     374.567     400.000      16.968    0 
-     17000        1406.58      40.675      -4.660      36.015       2.099     401.589     400.000      16.870    0 
-     18000        1488.30      40.568      -9.136      31.432       0.001     400.529     400.000      16.917    0 
-     19000        1565.18      37.757      -3.217      34.539       3.143     372.772     400.000      16.708    0 
-     20000        1643.57      40.491      -7.676      32.815       0.007     399.769     400.000      16.661    0 
-     21000        1718.65      40.471       0.108      40.579       0.000     399.570     400.000      16.333    0 
-     22000        1801.09      38.193       0.897      39.090       0.861     377.079     400.000      16.501    0 
-     23000        1884.01      40.463      -9.188      31.274       0.001     399.489     400.000      16.371    0 
-     24000        1971.64      40.446      -6.322      34.124       0.000     399.329     400.000      16.609    0 
-     25000        2048.46      44.869      -7.751      37.118       1.764     442.989     400.000      16.540    0 
-     26000        2125.05      38.568       0.467      39.035       0.839     380.785     400.000      16.996    0 
-     27000        2217.26      39.079      -2.265      36.813       1.621     385.826     400.000      17.055    0 
-     28000        2300.14      43.333       7.986      51.319       1.155     427.830     400.000      16.095    0 
-     29000        2384.60      42.783       2.583      45.366       0.996     422.396     400.000      16.096    0 
-     30000        2466.83      42.540      -0.980      41.560       0.934     420.003     400.000      16.735    0 
-     31000        2552.30      40.559       0.683      41.242       0.001     400.438     400.000      16.811    0 
-     32000        2639.37      40.819      -6.008      34.811       0.020     403.007     400.000      16.161    0 
-     33000        2726.72      38.958     -11.647      27.310       1.864     384.631     400.000      16.484    0 
-     34000        2816.14      39.835       9.019      48.854       2.104     393.296     400.000      16.696    0 
-     35000        2898.78      36.779       2.891      39.670       2.422     363.122     400.000      17.081    0 
-     36000        2991.04      40.895       6.067      46.963       0.034     403.759     400.000      16.609    0 
-     37000        3076.75      40.511      -7.633      32.878       0.000     399.967     400.000      16.745    0 
-     38000        3153.54      40.441      -5.123      35.318       0.001     399.275     400.000      16.315    0 
-     39000        3233.45      46.294     -12.502      33.792       1.950     457.061     400.000      16.288    0 
-     40000        3305.01      42.068      -4.349      37.719       1.559     415.334     400.000      16.495    0 
-     41000        3391.99      39.468      -9.551      29.917       1.873     389.672     400.000      16.564    0 
-     42000        3482.16      36.488       4.735      41.223       0.976     360.243     400.000      16.701    0 
-     43000        3572.15      41.579      -7.396      34.184       2.739     410.516     400.000      17.138    0 
-     44000        3647.44      40.397      -8.816      31.581       0.021     398.841     400.000      16.352    0 
-     45000        3735.12      43.035      -5.343      37.692       1.097     424.888     400.000      16.747    0 
-     46000        3818.88      40.534     -13.287      27.247       0.000     400.195     400.000      16.871    0 
-     47000        3905.60      38.763      -8.870      29.892       1.051     382.704     400.000      16.628    0 
-     48000        3989.66      40.497       4.412      44.910       0.001     399.833     400.000      17.069    0 
-     49000        4071.19      42.217      -3.727      38.490       0.899     416.806     400.000      17.458    0 
-     50000        4142.70      38.511      -0.467      38.044       1.621     380.217     400.000      16.973    0 
+         0           0.00      38.815    7160.887    7199.701       8.955     383.220     400.000      14.005    0 
+      1000          74.79      40.032      -2.176      37.856       0.624     395.240     400.000       8.081    0 
+      2000         155.53      41.695      -1.444      40.251       1.433     411.656     400.000       8.186    0 
+      3000         241.94      43.163       2.407      45.570       1.809     426.147     400.000       7.812    0 
+      4000         328.70      40.478      -9.586      30.892       0.012     399.637     400.000       7.917    0 
+      5000         421.24      40.545     -11.469      29.076       0.003     400.307     400.000       8.080    0 
+      6000         512.08      39.886      -2.421      37.465       1.269     393.792     400.000       8.279    0 
+      7000         602.29      41.215       0.660      41.875       2.008     406.915     400.000       8.189    0 
+      8000         692.68      40.132      -4.947      35.184       1.608     396.220     400.000       9.163    0 
+      9000         772.45      40.408      21.511      61.919       0.001     398.954     400.000       8.740    0 
+     10000         858.63      44.289      -1.028      43.261       0.976     437.267     400.000       8.587    0 
+     11000         950.24      40.709      -6.049      34.660       1.459     401.923     400.000       8.383    0 
+     12000        1046.66      42.633       1.080      43.714       1.056     420.922     400.000       8.110    0 
+     13000        1136.05      41.622       9.201      50.822       2.182     410.932     400.000       8.347    0 
+     14000        1229.35      40.517       7.279      47.796       0.000     400.024     400.000       8.874    0 
+     15000        1313.36      40.612      -0.006      40.606       1.095     400.968     400.000       7.624    0 
+     16000        1405.93      37.351      11.519      48.870       2.020     368.767     400.000       8.625    0 
+     17000        1497.00      40.493       3.850      44.343       0.001     399.790     400.000       8.271    0 
+     18000        1578.51      41.110       2.660      43.770       1.190     405.879     400.000       8.358    0 
+     19000        1666.39      41.953       2.030      43.983       1.155     414.202     400.000       8.183    0 
+     20000        1745.66      41.627       1.434      43.061       0.792     410.984     400.000       8.749    0 
+     21000        1831.66      36.877       3.824      40.701       2.492     364.087     400.000       8.240    0 
+     22000        1919.91      40.552      -5.098      35.454       0.004     400.369     400.000       9.179    0 
+     23000        2004.58      46.604      -5.626      40.978       0.949     460.122     400.000       8.147    0 
+     24000        2088.14      39.472      -5.072      34.400       2.293     389.709     400.000       8.780    0 
+     25000        2176.94      42.903     -13.399      29.504       2.016     423.580     400.000       8.703    0 
+     26000        2264.66      39.449       2.944      42.393       1.580     389.477     400.000       8.803    0 
+     27000        2358.26      40.166      15.671      55.837       1.257     396.562     400.000       9.032    0 
+     28000        2444.28      42.057       0.413      42.470       2.637     415.232     400.000       8.259    0 
+     29000        2536.42      39.951      -2.620      37.331       1.657     394.433     400.000       8.257    0 
+     30000        2626.26      40.062     -13.576      26.486       2.274     395.532     400.000       8.385    0 
+     31000        2724.57      37.947      -0.432      37.515       1.708     374.650     400.000       8.456    0 
+     32000        2809.31      40.461       5.357      45.818       1.648     399.473     400.000       7.974    0 
+     33000        2898.59      38.569      -1.858      36.711       1.541     380.789     400.000       8.814    0 
+     34000        2997.21      39.474      -2.032      37.442       1.078     389.731     400.000       8.570    0 
+     35000        3091.21      47.419     -11.374      36.045       1.400     468.167     400.000       8.380    0 
+     36000        3179.43      42.735       1.667      44.402       0.567     421.926     400.000       8.130    0 
+     37000        3273.89      37.919      -0.378      37.541       1.397     374.373     400.000       8.345    0 
+     38000        3364.57      42.997      -6.115      36.883       1.979     424.515     400.000       8.553    0 
+     39000        3447.31      41.678     -14.387      27.291       2.256     411.486     400.000       8.074    0 
+     40000        3536.89      39.390       5.449      44.839       1.460     388.898     400.000       8.469    0 
+     41000        3612.49      36.605       1.040      37.645       2.013     361.400     400.000       8.867    0 
+     42000        3696.59      44.539      23.248      67.788       1.681     439.738     400.000       8.035    0 
+     43000        3791.99      44.261      -3.625      40.636       2.312     436.989     400.000       8.691    0 
+     44000        3881.23      39.655      -3.053      36.602       1.566     391.519     400.000       8.559    0 
+     45000        3975.86      42.288       2.420      44.708       1.353     417.506     400.000       8.730    0 
+     46000        4058.55      37.013       6.723      43.736       1.452     365.432     400.000       8.263    0 
+     47000        4141.71      43.169       8.703      51.872       1.421     426.213     400.000       8.648    0 
+     48000        4237.05      38.175      -2.607      35.567       1.314     376.900     400.000       7.982    0 
+     49000        4322.96      40.169       2.732      42.901       1.254     396.588     400.000       8.414    0 
+     50000        4404.97      44.022     -12.949      31.074       0.340     434.632     400.000       8.330    0