--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/03/27 20:36:16 424 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/04/02 22:19:03 443 @@ -51,12 +51,14 @@ void SimInfo::refreshSim(){ fInfo.dielect = dielectric; fInfo.SIM_uses_PBC = usePBC; + //fInfo.SIM_uses_LJ = 0; fInfo.SIM_uses_LJ = useLJ; - //fInfo.SIM_uses_sticky = useSticky; - fInfo.SIM_uses_sticky = 0; + fInfo.SIM_uses_sticky = useSticky; + //fInfo.SIM_uses_sticky = 0; fInfo.SIM_uses_dipoles = useDipole; //fInfo.SIM_uses_dipoles = 0; - fInfo.SIM_uses_RF = useReactionField; + //fInfo.SIM_uses_RF = useReactionField; + fInfo.SIM_uses_RF = 0; fInfo.SIM_uses_GB = useGB; fInfo.SIM_uses_EAM = useEAM; @@ -64,14 +66,14 @@ void SimInfo::refreshSim(){ isError = 0; - fInfo; - n_atoms; - identArray; - n_exclude; - excludes; - nGlobalExcludes; - globalExcludes; - isError; +// fInfo; +// n_atoms; +// identArray; +// n_exclude; +// excludes; +// nGlobalExcludes; +// globalExcludes; +// isError; setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, &nGlobalExcludes, globalExcludes, &isError );