| 135 |
|
DeclareParameter(MTM_Io, RealType); |
| 136 |
|
DeclareParameter(MTM_Sigma, RealType); |
| 137 |
|
DeclareParameter(MTM_R, RealType); |
| 138 |
+ |
DeclareParameter(UseRNEMD, bool); |
| 139 |
+ |
DeclareParameter(RNEMD_swapTime, RealType); |
| 140 |
+ |
DeclareParameter(RNEMD_nBins, int); |
| 141 |
+ |
DeclareParameter(RNEMD_swapType, std::string); |
| 142 |
+ |
DeclareParameter(RNEMD_objectSelection, std::string); |
| 143 |
+ |
DeclareParameter(UseRestraints, bool); |
| 144 |
+ |
DeclareParameter(Restraint_objectSelection, std::string); |
| 145 |
+ |
DeclareParameter(Restraint_type, std::string); |
| 146 |
+ |
DeclareParameter(Restraint_file, std::string); |
| 147 |
+ |
DeclareParameter(Restraint_DisplacementSpringConstant, RealType); |
| 148 |
+ |
DeclareParameter(Restraint_RollSpringConstant, RealType); // phi |
| 149 |
+ |
DeclareParameter(Restraint_PitchSpringConstant, RealType); // theta |
| 150 |
+ |
DeclareParameter(Restraint_YawSpringConstant, RealType); // psi |
| 151 |
|
|
| 152 |
|
public: |
| 153 |
|
bool addComponent(Component* comp); |
| 168 |
|
std::vector<ZConsStamp*> zconstraints_; |
| 169 |
|
std::map<std::string, MoleculeStamp*> moleculeStamps_; |
| 170 |
|
std::pair<int, int> taggedAtomPair_; |
| 158 |
– |
|
| 171 |
|
}; |
| 172 |
|
} |
| 173 |
|
#endif |
