--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/04/07 21:42:19 474 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/04/09 04:06:43 483 @@ -152,8 +152,8 @@ void SimInfo::refreshSim(){ fInfo.SIM_uses_LJ = useLJ; fInfo.SIM_uses_sticky = useSticky; //fInfo.SIM_uses_sticky = 0; - //fInfo.SIM_uses_dipoles = useDipole; - fInfo.SIM_uses_dipoles = 0; + fInfo.SIM_uses_dipoles = useDipole; + //fInfo.SIM_uses_dipoles = 0; //fInfo.SIM_uses_RF = useReactionField; fInfo.SIM_uses_RF = 0; fInfo.SIM_uses_GB = useGB; @@ -163,17 +163,9 @@ void SimInfo::refreshSim(){ isError = 0; -// fInfo; -// n_atoms; -// identArray; -// n_exclude; -// excludes; -// nGlobalExcludes; -// globalExcludes; -// isError; - setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, - &nGlobalExcludes, globalExcludes, &isError ); + &nGlobalExcludes, globalExcludes, molMembershipArray, + &isError ); if( isError ){