BALL::MMFF94OutOfPlaneBend Class Reference
[MMFF94 Force Field.]

MMFF94 Out of plane component. More...

#include <MMFF94OutOfPlaneBend.h>

Inheritance diagram for BALL::MMFF94OutOfPlaneBend:

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List of all members.

Public Member Functions
	MMFF94OutOfPlaneBend ()
	Default constructor.
	MMFF94OutOfPlaneBend (ForceField &force_field)
	Constructor.
	MMFF94OutOfPlaneBend (const MMFF94OutOfPlaneBend &to_copy)
	Copy constructor.
virtual	~MMFF94OutOfPlaneBend ()
	Destructor.
virtual bool	setup () throw (Exception::TooManyErrors)
	Setup method.
virtual double	updateEnergy ()
	Calculates and returns the component's energy.
virtual void	updateForces ()
	Calculates and returns the component's forces.
const vector< OutOfPlaneBend > &	getOutOfPlaneBends () const
void	AddDV3_ (Vector3 &f3, const TVector3< double > d3)

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Detailed Description

MMFF94 Out of plane component.