--- branches/mmeineke/OOPSE/libmdtools/SimInfo.cpp 2003/03/21 17:42:12 377 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/03/26 14:55:50 402 @@ -44,15 +44,16 @@ void SimInfo::refreshSim(){ fInfo.rlist = rList; fInfo.rcut = rCut; - fInfo.rrf = rRF; - fInfo.rt = 0.95 * rRF; + fInfo.rrf = ecr; + fInfo.rt = ecr - est; fInfo.dielect = dielectric; - fInfo.SIM_uses_PBC = usePBC; fInfo.SIM_uses_LJ = useLJ; - fInfo.SIM_uses_sticky = useSticky; + //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_GB = useGB; fInfo.SIM_uses_EAM = useEAM;