--- trunk/src/integrators/NPTxyz.cpp 2010/09/08 20:42:24 1496 +++ trunk/src/integrators/NPTxyz.cpp 2010/09/09 13:02:24 1497 @@ -62,6 +62,10 @@ namespace OpenMD { RealType NPTxyz::calcConservedQuantity(){ + chi= currentSnapshot_->getChi(); + integralOfChidt = currentSnapshot_->getIntegralOfChiDt(); + loadEta(); + // We need NkBT a lot, so just set it here: This is the RAW number // of integrableObjects, so no subtraction or addition of constraints or // orientational degrees of freedom: