ProtoMol - an object-oriented component based framework for Molecular Dynamics simulations.
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ProtoMol::PSF::Dihedral Struct Reference

#include <PSF.h>

List of all members.

Public Member Functions

 Dihedral ()
 Dihedral (int a, int b, int c, int d, int e)

Public Attributes

int number
int atom1
int atom2
int atom3
int atom4

Detailed Description

This structure holds data for a basic .psf dihedral. The data stored includes the dihedral number and the numbers of the four atoms involved.

Constructor & Destructor Documentation

ProtoMol::PSF::Dihedral::Dihedral (   )  [inline]
 

ProtoMol::PSF::Dihedral::Dihedral (  int  a,
int  b,
int  c,
int  d,
int  e
)  [inline]
 

Member Data Documentation

int ProtoMol::PSF::Dihedral::atom1
 

dihedral atom 1 number

int ProtoMol::PSF::Dihedral::atom2
 

dihedral atom 2 number

int ProtoMol::PSF::Dihedral::atom3
 

dihedral atom 3 number

int ProtoMol::PSF::Dihedral::atom4
 

dihedral atom 4 number

int ProtoMol::PSF::Dihedral::number
 

dihedral number

The documentation for this struct was generated from the following file: Last update: . GNU GENERAL PUBLIC LICENSE, copyrighted by the University of Notre Dame and the University of Bergen, Norway.