--- trunk/OOPSE/libmdtools/SimInfo.cpp 2003/08/07 21:47:18 670 +++ trunk/OOPSE/libmdtools/SimInfo.cpp 2003/08/12 21:44:06 690 @@ -30,12 +30,15 @@ SimInfo::SimInfo(){ n_dipoles = 0; ndf = 0; ndfRaw = 0; + nZconstraints = 0; the_integrator = NULL; setTemp = 0; 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; @@ -362,7 +365,7 @@ int SimInfo::getNDF(){ ndf = ndf_local; #endif - ndf = ndf - 3; + ndf = ndf - 3 - nZconstraints; return ndf; }