--- trunk/src/io/ForceFieldOptions.cpp 2005/12/28 21:44:06 822 +++ trunk/src/io/ForceFieldOptions.cpp 2006/01/12 14:31:33 850 @@ -45,6 +45,7 @@ namespace oopse { ForceFieldOptions::ForceFieldOptions() { DefineOptionalParameter(Name, "Name"); + DefineOptionalParameter(CutoffPolicy, "cutoffPolicy"); DefineOptionalParameterWithDefaultValue(vdWtype, "vdWtype", "Lennard-Jones"); DefineOptionalParameterWithDefaultValue(DistanceMixingRule, "DistanceMixingRule", "arithmetic"); DefineOptionalParameterWithDefaultValue(DistanceType, "DistanceType", "sigma"); @@ -52,7 +53,7 @@ namespace oopse { DefineOptionalParameterWithDefaultValue(EnergyUnitScaling, "EnergyUnitScaling", 1.0); DefineOptionalParameterWithDefaultValue(DistanceUnitScaling, "DistanceUnitScaling", 1.0); DefineOptionalParameterWithDefaultValue(AngleUnitScaling, "AngleUnitScaling", 1.0); - DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180 is trans"); + DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180_is_trans"); DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0); DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0); DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0);