# | Line 134 | Line 134 | Globals::Globals() { | |
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134 | ||
135 | DefineOptionalParameterWithDefaultValue(UseRNEMD, "useRNEMD", false); | |
136 | DefineOptionalParameterWithDefaultValue(RNEMD_swapTime, "RNEMD_swapTime", 100.0); | |
137 | < | DefineOptionalParameterWithDefaultValue(RNEMD_nBins, "RNEMD_nBins", 15); |
137 | > | DefineOptionalParameterWithDefaultValue(RNEMD_nBins, "RNEMD_nBins", 16); |
138 | DefineOptionalParameterWithDefaultValue(RNEMD_swapType, "RNEMD_swapType", "Kinetic"); | |
139 | DefineOptionalParameterWithDefaultValue(RNEMD_objectSelection, "RNEMD_objectSelection", "select all"); | |
140 | ||
# | Line 205 | Line 205 | void Globals::validate() { | |
205 | CheckParameter(LangevinBufferRadius, isPositive()); | |
206 | CheckParameter(NeighborListNeighbors, isPositive()); | |
207 | CheckParameter(RNEMD_swapTime, isPositive()); | |
208 | < | CheckParameter(RNEMD_nBins, isPositive()); |
208 | > | CheckParameter(RNEMD_nBins, isPositive() && isEven()); |
209 | CheckParameter(RNEMD_swapType, isEqualIgnoreCase("Kinetic") || isEqualIgnoreCase("Px") || isEqualIgnoreCase("Py") || isEqualIgnoreCase("Pz")); | |
210 | ||
211 | for(std::vector<Component*>::iterator i = components_.begin(); i != components_.end(); ++i) { |
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