--- trunk/OOPSE/libmdtools/NVT.cpp 2004/04/19 22:13:01 1125 +++ trunk/OOPSE/libmdtools/NVT.cpp 2004/04/20 16:56:40 1127 @@ -50,8 +50,6 @@ template NVT::NVT ( SimInfo *theInfo, F } } - - std::cerr << "building oldVel with \t" << integrableObjects.size() << "\n"; oldVel = new double[3*integrableObjects.size()]; oldJi = new double[3*integrableObjects.size()]; } @@ -263,6 +261,8 @@ template double NVT::getConservedQuanti fkBT = (double)(info->getNDF() ) * kB * targetTemp; + std::cerr << "ndf = " << info->getNDF() << " fkbt = " << fkBT << "\n"; + Energy = tStats->getTotalE(); thermostat_kinetic = fkBT* tauThermostat * tauThermostat * chi * chi /