X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2Fprota_ENE.inp;h=debdc43df2fad1dcc4c458eb1642eed3dab670ee;hb=cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6;hp=c3653d3748dd9fbf8c7ef85101f70b1e5e5cfc38;hpb=ffb060c42bc9686cd2ab189e5f1c8fc4f5da25aa;p=unres.git diff --git a/ctest/prota_ENE.inp b/ctest/prota_ENE.inp index c3653d3..debdc43 100644 --- a/ctest/prota_ENE.inp +++ b/ctest/prota_ENE.inp @@ -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