NAMD
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#include <FreeEnergyRestrain.h>
Additional Inherited Members | |
Protected Member Functions inherited from AnAngleRestraint | |
double | GetE (double RefAngle, double LambdaKf=1.0) |
AVector | GetGrad (int WhichGroup, double RefAngle, double LambdaKf=1.0) |
Protected Member Functions inherited from ARestraint | |
double | GetAngle (AVector &A, AVector &B, AVector &C) |
double | GetDihe (AVector &A, AVector &B, AVector &C, AVector &D) |
void | EarlyExit (const char *Str, int AtomID) |
Protected Attributes inherited from ARestraint | |
double | m_Kf |
int | m_NumGroups |
AGroup * | m_pGroups |
AVector * | m_pCOMs |
Static Protected Attributes inherited from ARestraint | |
static double | m_LambdaKf = 1.0 |
static double | m_LambdaRef = 0.0 |
Definition at line 345 of file FreeEnergyRestrain.h.
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virtual |
Reimplemented from ARestraint.
Definition at line 986 of file FreeEnergyRestrain.C.
References ARestraint::GetAngle(), ARestraint::m_Kf, ARestraint::m_LambdaKf, ARestraint::m_LambdaRef, and ARestraint::m_pCOMs.
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inlinevirtual |
Implements AnAngleRestraint.
Definition at line 364 of file FreeEnergyRestrain.h.
References ARestraint::m_LambdaRef.
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virtual |
Implements ARestraint.
Definition at line 964 of file FreeEnergyRestrain.C.
References AnAngleRestraint::GetE(), ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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virtual |
Implements ARestraint.
Definition at line 975 of file FreeEnergyRestrain.C.
References AnAngleRestraint::GetGrad(), ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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inline |
Definition at line 355 of file FreeEnergyRestrain.h.
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inline |
Definition at line 356 of file FreeEnergyRestrain.h.
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inlinevirtual |
Implements ARestraint.
Definition at line 361 of file FreeEnergyRestrain.h.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 360 of file FreeEnergyRestrain.h.
References kTrue.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 353 of file FreeEnergyRestrain.h.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 354 of file FreeEnergyRestrain.h.