dynamic SS bond tests
[unres.git] / examples / unres / new / MD / DYN_SS / ss / 4 / small_GB000.stat
index d8686a1..1fd79fa 100644 (file)
@@ -1,16 +1,51 @@
-         0           0.00      38.815      81.991     120.806       4.304     383.220     400.000      14.005    0 
-      1000          88.82      40.474      -4.621      35.854       0.009     399.605     400.000      14.570    0 
-      2000         173.59      40.454       1.364      41.817       0.037     399.399     400.000      14.853    0 
-      3000         258.27      44.164       4.192      48.355       1.123     436.032     400.000      14.585    0 
-      4000         336.41      43.395       0.987      44.383       1.644     428.444     400.000      14.390    0 
-      5000         417.82      39.125      -0.104      39.021       1.171     386.281     400.000      15.175    0 
-      6000         503.69      36.405       3.582      39.987       1.000     359.425     400.000      14.979    0 
-      7000         592.74      35.811       5.857      41.668       1.337     353.567     400.000      15.403    0 
-      8000         682.80      37.429     -12.363      25.066       0.725     369.538     400.000      17.048    0 
-      9000         762.47      37.775      -8.743      29.033       1.226     372.957     400.000      16.447    0 
-     10000         849.83      40.060     -13.119      26.941       1.236     395.512     400.000      17.093    0 
-     11000         939.66      40.674       9.371      50.045       1.148     401.577     400.000      16.768    0 
-     12000        1024.01      39.359       3.266      42.626       1.693     388.597     400.000      16.477    0 
-     13000        1104.94      42.395      -5.621      36.774       1.825     418.565     400.000      16.728    0 
-     14000        1187.84      37.612       7.887      45.499       1.237     371.340     400.000      15.316    0 
-     15000        1274.29      39.037       3.737      42.774       1.097     385.415     400.000      15.559    0 
+         0           0.00      38.815    7160.887    7199.701       8.955     383.220     400.000      14.005    0 
+      1000          77.93      41.641      -2.040      39.601       1.063     411.126     400.000       8.066    0 
+      2000         169.12      40.466      -2.140      38.326       0.001     399.526     400.000       7.827    0 
+      3000         258.82      39.050       4.594      43.644       0.784     385.546     400.000       7.453    0 
+      4000         345.76      40.424      -7.107      33.317       0.003     399.112     400.000       8.099    0 
+      5000         443.14      40.537      -5.664      34.873       1.795     400.228     400.000       8.021    0 
+      6000         539.15      36.297       6.337      42.634       2.236     358.361     400.000       7.239    0 
+      7000         629.68      40.979       2.857      43.836       1.212     404.583     400.000       8.095    0 
+      8000         714.95      40.414       9.556      49.970       0.004     399.006     400.000       8.376    0 
+      9000         794.39      44.375       7.770      52.144       3.296     438.111     400.000       8.501    0 
+     10000         886.42      37.536      11.237      48.772       2.045     370.589     400.000       8.980    0 
+     11000         972.90      41.602       5.191      46.793       1.455     410.739     400.000       8.978    0 
+     12000        1050.98      40.486      -7.397      33.090       0.001     399.721     400.000       8.868    0 
+     13000        1142.23      40.811      -0.275      40.536       0.979     402.930     400.000       8.569    0 
+     14000        1223.69      40.555       9.214      49.768       0.001     400.396     400.000       8.771    0 
+     15000        1312.62      41.528      -5.725      35.803       1.460     410.006     400.000       8.956    0 
+     16000        1402.79      35.940       4.160      40.100       1.796     354.837     400.000       8.746    0 
+     17000        1489.56      39.882     -11.630      28.252       1.734     393.756     400.000       8.470    0 
+     18000        1571.66      41.034       0.994      42.027       1.023     405.126     400.000       8.797    0 
+     19000        1663.41      42.356       1.376      43.731       0.875     418.179     400.000       9.137    0 
+     20000        1752.17      37.084      12.787      49.872       1.540     366.135     400.000       7.107    0 
+     21000        1830.13      38.225       1.123      39.348       0.781     377.401     400.000       8.820    0 
+     22000        1911.47      40.741      -1.458      39.284       0.879     402.241     400.000       8.692    0 
+     23000        1998.91      44.256      14.978      59.234       1.103     436.939     400.000       8.785    0 
+     24000        2073.09      35.191       8.821      44.012       1.828     347.438     400.000       8.390    0 
+     25000        2154.13      40.534      -4.912      35.622       0.000     400.190     400.000       8.558    0 
+     26000        2240.30      40.611       2.991      43.602       0.001     400.955     400.000       8.909    0 
+     27000        2312.90      40.838      -4.103      36.735       1.271     403.190     400.000       8.949    0 
+     28000        2406.41      40.225      -0.629      39.596       0.941     397.146     400.000       9.169    0 
+     29000        2491.13      41.907       3.166      45.074       1.398     413.753     400.000       8.937    0 
+     30000        2570.70      37.891       6.197      44.089       1.167     374.104     400.000       9.353    0 
+     31000        2658.51      41.857      -2.343      39.513       0.991     413.252     400.000       9.131    0 
+     32000        2745.12      39.366       1.284      40.650       1.453     388.662     400.000       9.108    0 
+     33000        2834.58      42.066      -6.291      35.775       1.864     415.318     400.000       9.015    0 
+     34000        2920.83      44.485      -8.002      36.483       1.117     439.199     400.000       9.237    0 
+     35000        2999.39      40.377      -9.834      30.542       1.179     398.642     400.000       9.211    0 
+     36000        3080.44      40.563       6.712      47.275       0.000     400.484     400.000       9.427    0 
+     37000        3162.84      43.401      -0.149      43.252       0.725     428.504     400.000       9.429    0 
+     38000        3242.04      40.508       3.686      44.194       0.000     399.940     400.000       9.094    0 
+     39000        3322.51      38.579      13.896      52.476       1.532     380.893     400.000       8.391    0 
+     40000        3417.14      41.282      -4.620      36.663       1.147     407.583     400.000       8.850    0 
+     41000        3503.23      40.188     -13.369      26.819       1.218     396.782     400.000       9.186    0 
+     42000        3592.44      44.907       1.246      46.154       1.977     443.371     400.000       9.062    0 
+     43000        3682.68      39.795      -0.286      39.509       1.222     392.893     400.000       9.028    0 
+     44000        3766.00      39.159      -1.855      37.305       0.922     386.623     400.000       9.131    0 
+     45000        3850.80      37.836      -2.863      34.973       1.303     373.560     400.000       9.191    0 
+     46000        3937.71      39.388      10.744      50.132       1.174     388.880     400.000       9.080    0 
+     47000        4021.32      40.090       0.187      40.276       1.658     395.807     400.000       9.160    0 
+     48000        4104.50      40.142      -0.942      39.199       1.094     396.321     400.000       9.179    0 
+     49000        4177.71      37.297       4.029      41.325       2.327     368.233     400.000       9.358    0 
+     50000        4267.66      39.618       4.097      43.715       0.917     391.151     400.000       9.494    0