NAMD
AForcingDiheRestraint Member List

This is the complete list of members for AForcingDiheRestraint, including all inherited members.

ADiheRestraint()ADiheRestraint
ARestraint()ARestraint
DistributeForce(int WhichGroup, AVector Force, GlobalMasterFreeEnergy &CFE)ARestraint
EarlyExit(const char *Str, int AtomID)ARestraintprotected
Get_dU_dLambda()AForcingDiheRestraintvirtual
GetAngle(AVector &A, AVector &B, AVector &C)ARestraintprotected
GetDihe(AVector &A, AVector &B, AVector &C, AVector &D)ARestraintprotected
GetDiheTarget1()AForcingDiheRestraintinlinevirtual
GetDiheTarget2()AForcingDiheRestraintinlinevirtual
GetE(double RefDihe, double Const)ADiheRestraintprotected
GetEnergy()AForcingDiheRestraintvirtual
GetGrad(int WhichGroup, double RefDihe, double Const)ADiheRestraintprotected
GetGradient(int WhichGroup)AForcingDiheRestraintvirtual
GetKf()ARestraintinline
GetLambdaKf()ARestraintinline
GetLambdaRef()ARestraintinline
GetNumGroups()ARestraintinline
GetStartAngle()AForcingDiheRestraintinline
GetStopAngle()AForcingDiheRestraintinline
GetStr(char *Str)AForcingDiheRestraintinlinevirtual
gradU(AVector &P1P2P3, AVector &P4P5P6, AVector &dP1, AVector &dP2, AVector &dP3, AVector &dP4, AVector &dP5, AVector &dP6)ADiheRestraintprotected
IsForcing()AForcingDiheRestraintinlinevirtual
m_KfARestraintprotected
m_LambdaKfARestraintprotectedstatic
m_LambdaRefARestraintprotectedstatic
m_NumGroupsARestraintprotected
m_pCOMsARestraintprotected
m_pGroupsARestraintprotected
PrintInfo()ADiheRestraintvirtual
SetBound(Bound_t)ARestraintinlinevirtual
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)ARestraintinlinevirtual
SetKf(double Kf)ARestraintinline
SetLambdaKf(double LambdaKf)ARestraintinline
SetLambdaRef(double LambdaRef)ARestraintinline
SetLowerAngle(double)ARestraintinlinevirtual
SetRefAngle(double)ARestraintinlinevirtual
SetRefDist(double)ARestraintinlinevirtual
SetRefPos(AVector)ARestraintinlinevirtual
SetStartAngle(double Angle)AForcingDiheRestraintinlinevirtual
SetStartDist(double)ARestraintinlinevirtual
SetStartPos(AVector)ARestraintinlinevirtual
SetStopAngle(double Angle)AForcingDiheRestraintinlinevirtual
SetStopDist(double)ARestraintinlinevirtual
SetStopPos(AVector)ARestraintinlinevirtual
SetUpperAngle(double)ARestraintinlinevirtual
TwoTargets()AForcingDiheRestraintinlinevirtual
UpdateCOMs(GlobalMasterFreeEnergy &CFE)ARestraint
~ARestraint()ARestraintvirtual