--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/11/21 20:10:02 874 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2004/01/13 23:01:43 941 @@ -55,7 +55,8 @@ SimInfo::SimInfo(){ usePBC = 0; useLJ = 0; useSticky = 0; - useDipole = 0; + useCharges = 0; + useDipoles = 0; useReactionField = 0; useGB = 0; useEAM = 0; @@ -480,7 +481,7 @@ void SimInfo::refreshSim(){ fInfo.dielect = 0.0; - if( useDipole ){ + if( useDipoles ){ if( useReactionField )fInfo.dielect = dielectric; } @@ -489,7 +490,8 @@ 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_charges = useCharges; + fInfo.SIM_uses_dipoles = useDipoles; //fInfo.SIM_uses_dipoles = 0; //fInfo.SIM_uses_RF = useReactionField; fInfo.SIM_uses_RF = 0;