--- trunk/src/io/Globals.cpp 2009/03/09 14:03:31 1327 +++ trunk/src/io/Globals.cpp 2009/05/08 19:47:05 1341 @@ -134,8 +134,9 @@ Globals::Globals() { DefineOptionalParameterWithDefaultValue(UseRNEMD, "useRNEMD", false); DefineOptionalParameterWithDefaultValue(RNEMD_swapTime, "RNEMD_swapTime", 100.0); - DefineOptionalParameterWithDefaultValue(RNEMD_nBins, "RNEMD_nBins", 15); + DefineOptionalParameterWithDefaultValue(RNEMD_nBins, "RNEMD_nBins", 16); DefineOptionalParameterWithDefaultValue(RNEMD_swapType, "RNEMD_swapType", "Kinetic"); + DefineOptionalParameterWithDefaultValue(RNEMD_objectSelection, "RNEMD_objectSelection", "select all"); deprecatedKeywords_.insert("nComponents"); @@ -204,7 +205,7 @@ void Globals::validate() { CheckParameter(LangevinBufferRadius, isPositive()); CheckParameter(NeighborListNeighbors, isPositive()); CheckParameter(RNEMD_swapTime, isPositive()); - CheckParameter(RNEMD_nBins, isPositive()); + CheckParameter(RNEMD_nBins, isPositive() && isEven()); CheckParameter(RNEMD_swapType, isEqualIgnoreCase("Kinetic") || isEqualIgnoreCase("Px") || isEqualIgnoreCase("Py") || isEqualIgnoreCase("Pz")); for(std::vector::iterator i = components_.begin(); i != components_.end(); ++i) {