ctest wsccor 0.25 wtor 1.34316 in all tests
[unres.git] / ctest / prota_ENE.inp
index c3653d3..debdc43 100644 (file)
@@ -1,9 +1,9 @@
 Test energii - 1bdd - pdbstart unres_pdb
 SEED=-3059743 energy pdbstart pdbref refstr rescale_mode=2 unres_pdb energy_dec
 WLONG=1.00000 WSCP=1.23315 WELEC=0.84476 WBOND=1.00000 WANG=0.62954            &
-WSCLOC=0.10554 WTOR=1.84316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
+WSCLOC=0.10554 WTOR=1.34316 WTORD=1.26571 WCORRH=0.19212 WCORR5=0.00000        &
 WCORR6=0.00000 WEL_LOC=0.37357 WTURN3=1.40323 WTURN4=0.64673 WTURN6=0.00000    &
-WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.0                                         &
+WVDWPP=0.23173 WHPB=1.00000 WSCCOR=0.25                                        &
 CUTOFF=7.00000 WCORR4=0.00000
 prota_unres.pdb
  0