MULTCONF cx examples

[unres.git] / examples / unres / new / MULTCONF / cx / 1bdd_eval_GB.stat

diff --git a/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat b/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat
new file mode 100644 (file)
index 0000000..6e3904f
--- /dev/null
+++ b/examples/unres/new/MULTCONF/cx/1bdd_eval_GB.stat
@@ -0,0 +1,13 @@
+#      WSC         WSCP        WELEC       WANG        WSCLOC      WTOR        WTORD       WCORR       WCORR5      WCORR6      WEL_LOC     WTURN3      WTURN4      WTURN6                  SCAL14      WSTRAIN     WBOND       WVDWPP      WSCCOR    
+#      1.0000E+00  1.2331E+00  8.4476E-01  6.2954E-01  1.0554E-01  1.8432E+00  1.2657E+00  1.9212E-01  0.0000E+00  0.0000E+00  3.7357E-01  1.4032E+00  6.4673E-01  0.0000E+00  0.0000E+00  4.0000E-01  1.0000E+00  1.0000E+00  2.3173E-01  0.0000E+00
+#      EVDW SC-SC  EVDW2 SC-p  EES p-p     EBE bend    ESC SCloc   ETORS       ETORSD      ECORR4      ECORR5      ECORR6      EELLO       ETURN3      ETURN4      ETURN6      UCONST      EVDW2_14    EHPB        ESTR        EVDWPP      ESCCOR      ETOT total        RMSD nat.contact nnt.contact
+    1     -32.532      29.008     -21.912     -42.522     226.428      15.816      -2.426     -11.976       0.000       0.000      32.540      10.132      17.547       0.000       0.000       0.000       0.000      21.849     -40.080       0.000      55.919      34.215       0.000       1.000       0.062
+    2     -34.815      39.073     -36.809     -44.804     260.507      18.743      -0.714     -20.221       0.000       0.000      31.711      12.599      16.081       0.000       0.000       0.000       0.000      28.031     -48.072       0.000      68.136      32.388       0.023       0.667       0.062
+    3     -37.256      46.645     -69.429     -44.474     226.399      19.555      -0.302     -42.124       0.000       0.000      18.231      20.696       8.524       0.000       0.000       0.000       0.000      27.199     -43.503       0.000      43.562      31.083       0.070       0.667       0.074
+    4     -43.185      63.417     -97.350     -49.730     209.506      21.137       3.239     -60.627       0.000       0.000      19.964      20.666       6.703       0.000       0.000       0.000       0.000      21.118     -51.629       0.000      24.940      29.913       0.070       0.700       0.075
+    5     -40.421      71.748    -125.103     -51.188     259.654      30.283      -0.077     -91.911       0.000       0.000      11.140      30.796       2.783       0.000       0.000       0.000       0.000      27.834     -68.883       0.000      36.660      28.263       0.070       0.727       0.085
+    6     -47.350      78.221    -148.495     -50.302     238.886      35.131       3.643    -100.581       0.000       0.000       3.373      33.915      -2.179       0.000       0.000       0.000       0.000      23.950     -49.074       0.000      27.270      25.819       0.047       0.846       0.083
+    7     -43.689      94.269    -168.746     -46.686     234.988      33.761       1.840    -117.720       0.000       0.000       5.929      34.214      -2.062       0.000       0.000       0.000       0.000      24.363     -43.995       0.000      30.418      25.241       0.093       0.733       0.078
+    8     -44.267      81.082    -143.163     -46.868     171.007      33.960       6.740     -96.790       0.000       0.000     -12.234      32.052      -2.055       0.000       0.000       0.000       0.000      27.307     -59.795       0.000      28.382      24.310       0.093       0.800       0.079
+    9     -49.339      96.408    -169.272     -41.923     215.444      32.952       2.593    -120.373       0.000       0.000       4.115      35.958       0.261       0.000       0.000       0.000       0.000      28.738     -69.119       0.000      28.675      22.054       0.070       0.870       0.088
+   10     -55.526     108.162    -213.856     -48.945     191.898      36.910       4.442    -150.408       0.000       0.000      -4.376      44.404      -9.759       0.000       0.000       0.000       0.000      26.896     -71.797       0.000      -3.984      18.458       0.093       0.826       0.084