#include <FreeEnergyRestrain.h>
Public Member Functions | |
void | SetRefAngle (double Angle) |
double | GetRefAngle () |
double | GetEnergy () |
AVector | GetGradient (int WhichGroup) |
void | GetStr (char *Str) |
Bool_t | TwoTargets () |
double | GetDiheTarget1 () |
double | GetDiheTarget2 () |
Definition at line 373 of file FreeEnergyRestrain.h.
double AFixedDiheRestraint::GetDiheTarget1 | ( | ) | [inline, virtual] |
Implements ADiheRestraint.
Definition at line 388 of file FreeEnergyRestrain.h.
double AFixedDiheRestraint::GetDiheTarget2 | ( | ) | [inline, virtual] |
double AFixedDiheRestraint::GetEnergy | ( | ) | [virtual] |
Implements ARestraint.
Definition at line 999 of file FreeEnergyRestrain.C.
References ADiheRestraint::GetE(), and ARestraint::m_Kf.
AVector AFixedDiheRestraint::GetGradient | ( | int | WhichGroup | ) | [virtual] |
Implements ARestraint.
Definition at line 1007 of file FreeEnergyRestrain.C.
References ADiheRestraint::GetGrad(), and ARestraint::m_Kf.
01007 { 01008 //--------------------------------------------------------------------------- 01009 // return the gradient for this fixed dihedral angle restraint. 01010 //--------------------------------------------------------------------------- 01011 return(GetGrad(WhichGroup, m_RefAngle, m_Kf)); 01012 }
double AFixedDiheRestraint::GetRefAngle | ( | ) | [inline] |
Definition at line 381 of file FreeEnergyRestrain.h.
void AFixedDiheRestraint::GetStr | ( | char * | Str | ) | [inline, virtual] |
Implements ARestraint.
Definition at line 384 of file FreeEnergyRestrain.h.
void AFixedDiheRestraint::SetRefAngle | ( | double | Angle | ) | [inline, virtual] |
Reimplemented from ARestraint.
Definition at line 380 of file FreeEnergyRestrain.h.
00380 {m_RefAngle=Angle;}
Bool_t AFixedDiheRestraint::TwoTargets | ( | ) | [inline, virtual] |
Implements ADiheRestraint.
Definition at line 387 of file FreeEnergyRestrain.h.
References kFalse.
00387 {return(kFalse);}