BALL::MMFF94StretchBend::Bend Struct Reference

see MMFFANG.PAR More...

#include <BALL/MOLMEC/MMFF94/MMFF94StretchBend.h>

List of all members.

Public Member Functions
	Bend ()
Public Attributes
double	theta0
double	delta_theta
double	theta
double	ka
Atom *	atom1
Atom *	atom2
Atom *	atom3
bool	is_linear
Position	ATIJK
double	energy
bool	emperical
TVector3< double >	n1
TVector3< double >	n2

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Detailed Description

see MMFFANG.PAR

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Constructor & Destructor Documentation

BALL::MMFF94StretchBend::Bend::Bend

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Member Data Documentation

Position BALL::MMFF94StretchBend::Bend::ATIJK

Atom* BALL::MMFF94StretchBend::Bend::atom1

Atom* BALL::MMFF94StretchBend::Bend::atom2

Atom* BALL::MMFF94StretchBend::Bend::atom3

double BALL::MMFF94StretchBend::Bend::delta_theta

bool BALL::MMFF94StretchBend::Bend::emperical

double BALL::MMFF94StretchBend::Bend::energy

bool BALL::MMFF94StretchBend::Bend::is_linear

double BALL::MMFF94StretchBend::Bend::ka

TVector3<double> BALL::MMFF94StretchBend::Bend::n1

TVector3<double> BALL::MMFF94StretchBend::Bend::n2

double BALL::MMFF94StretchBend::Bend::theta

double BALL::MMFF94StretchBend::Bend::theta0