| ADiheRestraint() | ADiheRestraint | |
| ARestraint() | ARestraint | |
| DistributeForce(int WhichGroup, AVector Force, GlobalMasterFreeEnergy &CFE) | ARestraint | |
| EarlyExit(char *Str, int AtomID) | ARestraint | [protected] |
| Get_dU_dLambda() | AForcingDiheRestraint | [virtual] |
| GetAngle(AVector &A, AVector &B, AVector &C) | ARestraint | [protected] |
| GetDihe(AVector &A, AVector &B, AVector &C, AVector &D) | ARestraint | [protected] |
| GetDiheTarget1() | AForcingDiheRestraint | [inline, virtual] |
| GetDiheTarget2() | AForcingDiheRestraint | [inline, virtual] |
| GetE(double RefDihe, double Const) | ADiheRestraint | [protected] |
| GetEnergy() | AForcingDiheRestraint | [virtual] |
| GetGrad(int WhichGroup, double RefDihe, double Const) | ADiheRestraint | [protected] |
| GetGradient(int WhichGroup) | AForcingDiheRestraint | [virtual] |
| GetKf() | ARestraint | [inline] |
| GetLambdaKf() | ARestraint | [inline] |
| GetLambdaRef() | ARestraint | [inline] |
| GetNumGroups() | ARestraint | [inline] |
| GetStartAngle() | AForcingDiheRestraint | [inline] |
| GetStopAngle() | AForcingDiheRestraint | [inline] |
| GetStr(char *Str) | AForcingDiheRestraint | [inline, virtual] |
| gradU(AVector &P1P2P3, AVector &P4P5P6, AVector &dP1, AVector &dP2, AVector &dP3, AVector &dP4, AVector &dP5, AVector &dP6) | ADiheRestraint | [protected] |
| IsForcing() | AForcingDiheRestraint | [inline, virtual] |
| m_Kf | ARestraint | [protected] |
| m_LambdaKf | ARestraint | [protected, static] |
| m_LambdaRef | ARestraint | [protected, static] |
| m_NumGroups | ARestraint | [protected] |
| m_pCOMs | ARestraint | [protected] |
| m_pGroups | ARestraint | [protected] |
| PrintInfo() | ADiheRestraint | [virtual] |
| SetBound(Bound_t) | ARestraint | [inline, virtual] |
| SetGroup(AGroup &Group, int GroupIndex) | ARestraint | |
| SetGroups(AGroup &Group1) | ARestraint | |
| SetGroups(AGroup &Group1, AGroup &Group2) | ARestraint | |
| SetGroups(AGroup &Group1, AGroup &Group2, AGroup &Group3) | ARestraint | |
| SetGroups(AGroup &Group1, AGroup &Group2, AGroup &Group3, AGroup &Group4) | ARestraint | |
| SetIntervalAngle(double) | ARestraint | [inline, virtual] |
| SetKf(double Kf) | ARestraint | [inline] |
| SetLambdaKf(double LambdaKf) | ARestraint | [inline] |
| SetLambdaRef(double LambdaRef) | ARestraint | [inline] |
| SetLowerAngle(double) | ARestraint | [inline, virtual] |
| SetRefAngle(double) | ARestraint | [inline, virtual] |
| SetRefDist(double) | ARestraint | [inline, virtual] |
| SetRefPos(AVector) | ARestraint | [inline, virtual] |
| SetStartAngle(double Angle) | AForcingDiheRestraint | [inline, virtual] |
| SetStartDist(double) | ARestraint | [inline, virtual] |
| SetStartPos(AVector) | ARestraint | [inline, virtual] |
| SetStopAngle(double Angle) | AForcingDiheRestraint | [inline, virtual] |
| SetStopDist(double) | ARestraint | [inline, virtual] |
| SetStopPos(AVector) | ARestraint | [inline, virtual] |
| SetUpperAngle(double) | ARestraint | [inline, virtual] |
| TwoTargets() | AForcingDiheRestraint | [inline, virtual] |
| UpdateCOMs(GlobalMasterFreeEnergy &CFE) | ARestraint | |
| ~ARestraint() | ARestraint | [virtual] |
