--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/03/24 18:33:51 393 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/03/24 21:55:34 394 @@ -44,18 +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_dipoles = 0; - // fInfo.SIM_uses_dipoles = useDipole; - fInfo.SIM_uses_RF = 0; - // fInfo.SIM_uses_RF = useReactionField; + //fInfo.SIM_uses_sticky = useSticky; + fInfo.SIM_uses_sticky = 0; + fInfo.SIM_uses_dipoles = useDipole; + fInfo.SIM_uses_RF = useReactionField; fInfo.SIM_uses_GB = useGB; fInfo.SIM_uses_EAM = useEAM;