--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/10/29 20:41:39 843 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/10/30 18:59:20 845 @@ -524,6 +524,8 @@ void SimInfo::setDefaultRcut( double theRcut ){ haveOrigRcut = 1; origRcut = theRcut; rCut = theRcut; + + ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); } @@ -539,7 +541,10 @@ void SimInfo::setDefaultEcr( double theEcr ){ haveOrigEcr = 1; origEcr = theEcr; + ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; + ecr = theEcr; + notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); } @@ -622,7 +627,6 @@ void SimInfo::checkCutOffs( void ){ ( rCut > ecr )? rList = rCut + 1.0: rList = ecr + 1.0; if( cutChanged ){ - notifyFortranCutOffs( &rCut, &rList, &ecr, &est ); }