--- trunk/OOPSE/libmdtools/NPTf.cpp 2003/09/23 20:34:31 782 +++ trunk/OOPSE/libmdtools/NPTf.cpp 2003/09/25 19:27:15 787 @@ -244,7 +244,7 @@ template double NPTf::getConservedQuant totalEnergy = tStats->getTotalE(); - thermostat_kinetic = fkBT* tt2 * chi * chi / + thermostat_kinetic = fkBT * tt2 * chi * chi / (2.0 * eConvert); thermostat_potential = fkBT* integralOfChidt / eConvert;