BALL 1.5.0
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BALL::CharmmTorsion::SingleCharmmTorsion Struct Reference

#include <BALL/MOLMEC/CHARMM/charmmTorsion.h>

Public Member Functions

 SingleCharmmTorsion ()
 
 SingleCharmmTorsion (CosineTorsion::SingleData &t)
 

Public Attributes

Atomatom1
 
Atomatom2
 
Atomatom3
 
Atomatom4
 
float V
 
unsigned char f
 
float phase
 

Detailed Description

Definition at line 48 of file charmmTorsion.h.

Constructor & Destructor Documentation

◆ SingleCharmmTorsion() [1/2]

BALL::CharmmTorsion::SingleCharmmTorsion::SingleCharmmTorsion ( )
inline

Definition at line 59 of file charmmTorsion.h.

◆ SingleCharmmTorsion() [2/2]

BALL::CharmmTorsion::SingleCharmmTorsion::SingleCharmmTorsion ( CosineTorsion::SingleData & t)
inline

Definition at line 70 of file charmmTorsion.h.

Member Data Documentation

◆ atom1

Atom* BALL::CharmmTorsion::SingleCharmmTorsion::atom1

Definition at line 50 of file charmmTorsion.h.

◆ atom2

Atom* BALL::CharmmTorsion::SingleCharmmTorsion::atom2

Definition at line 51 of file charmmTorsion.h.

◆ atom3

Atom* BALL::CharmmTorsion::SingleCharmmTorsion::atom3

Definition at line 52 of file charmmTorsion.h.

◆ atom4

Atom* BALL::CharmmTorsion::SingleCharmmTorsion::atom4

Definition at line 53 of file charmmTorsion.h.

◆ f

unsigned char BALL::CharmmTorsion::SingleCharmmTorsion::f

Definition at line 56 of file charmmTorsion.h.

◆ phase

float BALL::CharmmTorsion::SingleCharmmTorsion::phase

Definition at line 57 of file charmmTorsion.h.

◆ V

float BALL::CharmmTorsion::SingleCharmmTorsion::V

Definition at line 55 of file charmmTorsion.h.