--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/08/11 18:29:46 674 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/08/15 19:24:13 699 @@ -26,6 +26,7 @@ SimInfo::SimInfo(){ SimInfo::SimInfo(){ excludes = NULL; n_constraints = 0; + nZconstraints = 0; n_oriented = 0; n_dipoles = 0; ndf = 0; @@ -36,7 +37,9 @@ SimInfo::SimInfo(){ thermalTime = 0.0; currentTime = 0.0; rCut = 0.0; + origRcut = -1.0; ecr = 0.0; + origEcr = -1.0; est = 0.0; oldEcr = 0.0; oldRcut = 0.0;