Scine::MolecularMechanics::LennardJonesParameters Class Reference

Class containing the parameters for a van der Waals LJ-type interaction. More...

#include <LennardJonesParameters.h>

Collaboration diagram for Scine::MolecularMechanics::LennardJonesParameters:

Public Member Functions
	LennardJonesParameters (double vdwRadius, double wellDepth)
	Constructor. More...
LennardJones	toMMLennardJones (const LennardJonesParameters &otherLjParameters, double scalingFactor) const
	Method returning the LennardJones analogon with the right unit conversions to be used in the calculation.

Detailed Description

Class containing the parameters for a van der Waals LJ-type interaction.

Constructor & Destructor Documentation

Scine::MolecularMechanics::LennardJonesParameters::LennardJonesParameters	(	double	vdwRadius,
		double	wellDepth
	)

Constructor.

Parameters

vdwRadius	Unit: Angstrom
wellDepth	Unit: kcal/mol

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The documentation for this class was generated from the following files:

• src/Swoose/Swoose/MolecularMechanics/Parameters/LennardJonesParameters.h
• src/Swoose/Swoose/MolecularMechanics/Parameters/LennardJonesParameters.cpp