--- trunk/src/integrators/NPrT.cpp 2005/05/20 19:27:03 540 +++ trunk/src/integrators/NPrT.cpp 2006/03/31 18:09:22 927 @@ -57,7 +57,7 @@ namespace oopse { painCave.isFatal = 1; simError(); } else { - surfaceTension= simParams->getSurfaceTension(); + surfaceTension= simParams->getSurfaceTension()* OOPSEConstant::surfaceTensorConvert * OOPSEConstant::energyConvert; } } @@ -175,7 +175,7 @@ namespace oopse { double area = hmat(0,0) * hmat(1, 1); double conservedQuantity = totalEnergy + thermostat_kinetic + thermostat_potential + - barostat_kinetic + barostat_potential - surfaceTension * area; + barostat_kinetic + barostat_potential - surfaceTension * area/ OOPSEConstant::energyConvert; return conservedQuantity;