Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Scine::MolecularMechanics::ImproperDihedralParameters Class Reference
Collaboration diagram for Scine::MolecularMechanics::ImproperDihedralParameters:
Collaboration graph

Public Member Functions

 ImproperDihedralParameters (double forceConstant, double equilibriumAngle)
 Constructor. More...
 
ImproperDihedral toMMImproperDihedral () const
 Method returning the MMImproperDihedral analogon to be used in the calculation.
 
void setForceConstant (const double &fc)
 Setter for the force constant.
 
void setEquilibriumAngle (const double &eqAng)
 Setter for the equilibrium angle.
 
double getForceConstant () const
 Getter for the force constant.
 
double getEquilibriumAngle () const
 Getter for the equilibrium angle.
 

Constructor & Destructor Documentation

Scine::MolecularMechanics::ImproperDihedralParameters::ImproperDihedralParameters ( double  forceConstant,
double  equilibriumAngle 
)

Constructor.

Parameters
forceConstantUnit: kcal/mol
equilibriumAngleUnit: degrees
The documentation for this class was generated from the following files: