MTK++ Latest version: 0.2.0

MM Directory Reference
Directory dependency graph for mtkpp/src/MM/:
mtkpp/src/MM/

Files

file  amber.cpp
 

AMBER MM potential.


file  amber.h [code]
 

AMBER MM potential.


file  amberAngle.cpp
 

AMBER angle energy and gradient.


file  amberAngle.h [code]
 

AMBER angle energy and gradient.


file  amberBond.cpp
 

AMBER bond energy and gradient.


file  amberBond.h [code]
 

AMBER bond energy and gradient.


file  amberImproper.cpp
 

AMBER improper energy and gradient.


file  amberImproper.h [code]
 

AMBER improper energy and gradient.


file  amberNonBonded.cpp
 

AMBER non-bonded energy and gradient.


file  amberNonBonded.h [code]
 

AMBER non-bonded energy and gradient.


file  amberTorsion.cpp
 

AMBER torsion energy and gradient.


file  amberTorsion.h [code]
 

AMBER torsion energy and gradient.


file  mmPotential.cpp
 

Base class for MM potentials.


file  mmPotential.h [code]
 

Base class for MM potentials.


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