NAMD
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#include <FreeEnergyRestrain.h>
Additional Inherited Members | |
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double | GetE (AVector RefPos, double LambdaKf=1.0) |
AVector | GetGrad (int WhichGroup, AVector RefPos, double LambdaKf=1.0) |
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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) |
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double | m_Kf |
int | m_NumGroups |
AGroup * | m_pGroups |
AVector * | m_pCOMs |
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static double | m_LambdaKf = 1.0 |
static double | m_LambdaRef = 0.0 |
Definition at line 211 of file FreeEnergyRestrain.h.
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virtual |
Reimplemented from ARestraint.
Definition at line 818 of file FreeEnergyRestrain.C.
References ARestraint::m_Kf, ARestraint::m_LambdaKf, ARestraint::m_LambdaRef, and ARestraint::m_pCOMs.
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inlinevirtual |
Implements APosRestraint.
Definition at line 233 of file FreeEnergyRestrain.h.
References AVector::Dist(), ARestraint::m_LambdaRef, and ARestraint::m_pCOMs.
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virtual |
Implements ARestraint.
Definition at line 790 of file FreeEnergyRestrain.C.
References APosRestraint::GetE(), ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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virtual |
Implements ARestraint.
Definition at line 804 of file FreeEnergyRestrain.C.
References APosRestraint::GetGrad(), ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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inlinevirtual |
Implements APosRestraint.
Definition at line 230 of file FreeEnergyRestrain.h.
References ARestraint::m_LambdaRef.
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inline |
Definition at line 221 of file FreeEnergyRestrain.h.
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inline |
Definition at line 222 of file FreeEnergyRestrain.h.
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inlinevirtual |
Implements ARestraint.
Definition at line 227 of file FreeEnergyRestrain.h.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 226 of file FreeEnergyRestrain.h.
References kTrue.
Reimplemented from ARestraint.
Definition at line 219 of file FreeEnergyRestrain.h.
Reimplemented from ARestraint.
Definition at line 220 of file FreeEnergyRestrain.h.