NAMD
ABoundPosRestraint Member List

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

APosRestraint()APosRestraint
ARestraint()ARestraint
DistributeForce(int WhichGroup, AVector Force, GlobalMasterFreeEnergy &CFE)ARestraint
EarlyExit(const char *Str, int AtomID)ARestraintprotected
Get_dU_dLambda()ARestraintinlinevirtual
GetAngle(AVector &A, AVector &B, AVector &C)ARestraintprotected
GetBound()ABoundPosRestraintinline
GetDihe(AVector &A, AVector &B, AVector &C, AVector &D)ARestraintprotected
GetDistance()ABoundPosRestraintinlinevirtual
GetE(AVector RefPos, double LambdaKf=1.0)APosRestraintprotected
GetEnergy()ABoundPosRestraintvirtual
GetGrad(int WhichGroup, AVector RefPos, double LambdaKf=1.0)APosRestraintprotected
GetGradient(int WhichGroup)ABoundPosRestraintvirtual
GetKf()ARestraintinline
GetLambdaKf()ARestraintinline
GetLambdaRef()ARestraintinline
GetNumGroups()ARestraintinline
GetPosTarget()ABoundPosRestraintinlinevirtual
GetRefDist()ABoundPosRestraintinline
GetRefPos()ABoundPosRestraintinline
GetStr(char *Str)ABoundPosRestraintinlinevirtual
IsForcing()ARestraintinlinevirtual
m_KfARestraintprotected
m_LambdaKfARestraintprotectedstatic
m_LambdaRefARestraintprotectedstatic
m_NumGroupsARestraintprotected
m_pCOMsARestraintprotected
m_pGroupsARestraintprotected
PrintInfo()APosRestraintvirtual
SetBound(Bound_t Bound)ABoundPosRestraintinlinevirtual
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 Dist)ABoundPosRestraintinlinevirtual
SetRefPos(AVector Pos)ABoundPosRestraintinlinevirtual
SetStartAngle(double)ARestraintinlinevirtual
SetStartDist(double)ARestraintinlinevirtual
SetStartPos(AVector)ARestraintinlinevirtual
SetStopAngle(double)ARestraintinlinevirtual
SetStopDist(double)ARestraintinlinevirtual
SetStopPos(AVector)ARestraintinlinevirtual
SetUpperAngle(double)ARestraintinlinevirtual
UpdateCOMs(GlobalMasterFreeEnergy &CFE)ARestraint
~ARestraint()ARestraintvirtual