NAMD
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#include <FreeEnergyRestrain.h>
Additional Inherited Members | |
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double | GetE (double RefDihe, double Const) |
AVector | GetGrad (int WhichGroup, double RefDihe, double Const) |
AVector | gradU (AVector &P1P2P3, AVector &P4P5P6, AVector &dP1, AVector &dP2, AVector &dP3, AVector &dP4, AVector &dP5, AVector &dP6) |
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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 417 of file FreeEnergyRestrain.h.
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virtual |
Reimplemented from ARestraint.
Definition at line 1086 of file FreeEnergyRestrain.C.
References ARestraint::GetDihe(), ARestraint::m_Kf, ARestraint::m_LambdaKf, ARestraint::m_LambdaRef, and ARestraint::m_pCOMs.
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inlinevirtual |
Implements ADiheRestraint.
Definition at line 437 of file FreeEnergyRestrain.h.
References ARestraint::m_LambdaRef.
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inlinevirtual |
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virtual |
Implements ARestraint.
Definition at line 1064 of file FreeEnergyRestrain.C.
References ADiheRestraint::GetE(), ARestraint::m_Kf, ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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virtual |
Implements ARestraint.
Definition at line 1075 of file FreeEnergyRestrain.C.
References ADiheRestraint::GetGrad(), ARestraint::m_Kf, ARestraint::m_LambdaKf, and ARestraint::m_LambdaRef.
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inline |
Definition at line 427 of file FreeEnergyRestrain.h.
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inline |
Definition at line 428 of file FreeEnergyRestrain.h.
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inlinevirtual |
Implements ARestraint.
Definition at line 433 of file FreeEnergyRestrain.h.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 432 of file FreeEnergyRestrain.h.
References kTrue.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 425 of file FreeEnergyRestrain.h.
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inlinevirtual |
Reimplemented from ARestraint.
Definition at line 426 of file FreeEnergyRestrain.h.
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inlinevirtual |
Implements ADiheRestraint.
Definition at line 436 of file FreeEnergyRestrain.h.
References kFalse.