NAMD
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This is the complete list of members for ABoundDiheRestraint, including all inherited members.
ADiheRestraint() | ADiheRestraint | |
ARestraint() | ARestraint | |
DistributeForce(int WhichGroup, AVector Force, GlobalMasterFreeEnergy &CFE) | ARestraint | |
EarlyExit(const char *Str, int AtomID) | ARestraint | protected |
Get_dU_dLambda() | ARestraint | inlinevirtual |
GetAngle(AVector &A, AVector &B, AVector &C) | ARestraint | protected |
GetDihe(AVector &A, AVector &B, AVector &C, AVector &D) | ARestraint | protected |
GetDiheTarget1() | ABoundDiheRestraint | inlinevirtual |
GetDiheTarget2() | ABoundDiheRestraint | inlinevirtual |
GetE(double RefDihe, double Const) | ADiheRestraint | protected |
GetEnergy() | ABoundDiheRestraint | virtual |
GetGrad(int WhichGroup, double RefDihe, double Const) | ADiheRestraint | protected |
GetGradient(int WhichGroup) | ABoundDiheRestraint | virtual |
GetIntervalAngle() | ABoundDiheRestraint | inline |
GetKf() | ARestraint | inline |
GetLambdaKf() | ARestraint | inline |
GetLambdaRef() | ARestraint | inline |
GetLowerAngle() | ABoundDiheRestraint | inline |
GetNumGroups() | ARestraint | inline |
GetStr(char *Str) | ABoundDiheRestraint | inlinevirtual |
GetUpperAngle() | ABoundDiheRestraint | inline |
gradU(AVector &P1P2P3, AVector &P4P5P6, AVector &dP1, AVector &dP2, AVector &dP3, AVector &dP4, AVector &dP5, AVector &dP6) | ADiheRestraint | protected |
IsForcing() | ARestraint | inlinevirtual |
m_Kf | ARestraint | protected |
m_LambdaKf | ARestraint | protectedstatic |
m_LambdaRef | ARestraint | protectedstatic |
m_NumGroups | ARestraint | protected |
m_pCOMs | ARestraint | protected |
m_pGroups | ARestraint | protected |
PrintInfo() | ADiheRestraint | virtual |
SetBound(Bound_t) | ARestraint | inlinevirtual |
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 Angle) | ABoundDiheRestraint | inlinevirtual |
SetKf(double Kf) | ARestraint | inline |
SetLambdaKf(double LambdaKf) | ARestraint | inline |
SetLambdaRef(double LambdaRef) | ARestraint | inline |
SetLowerAngle(double Angle) | ABoundDiheRestraint | inlinevirtual |
SetRefAngle(double) | ARestraint | inlinevirtual |
SetRefDist(double) | ARestraint | inlinevirtual |
SetRefPos(AVector) | ARestraint | inlinevirtual |
SetStartAngle(double) | ARestraint | inlinevirtual |
SetStartDist(double) | ARestraint | inlinevirtual |
SetStartPos(AVector) | ARestraint | inlinevirtual |
SetStopAngle(double) | ARestraint | inlinevirtual |
SetStopDist(double) | ARestraint | inlinevirtual |
SetStopPos(AVector) | ARestraint | inlinevirtual |
SetUpperAngle(double Angle) | ABoundDiheRestraint | inlinevirtual |
TwoTargets() | ABoundDiheRestraint | inlinevirtual |
UpdateCOMs(GlobalMasterFreeEnergy &CFE) | ARestraint | |
~ARestraint() | ARestraint | virtual |