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psfdata Struct Reference

List of all members.

Public Attributes
FILE *	fp
int	numatoms
int	namdfmt
int	charmmfmt
int	charmmcmap
int	charmmcheq
int	charmmext
int	charmmdrude
int	nbonds
int *	from
int *	to
int	numangles
int *	angles
int	numdihedrals
int *	dihedrals
int	numimpropers
int *	impropers
int	numcterms
int *	cterms

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Member Data Documentation

int * psfdata::angles

Definition at line 40 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, read_angles, write_angles, and write_psf_structure.

int psfdata::charmmcheq

Definition at line 35 of file psfplugin.c. Referenced by open_psf_read, and open_psf_write.

int psfdata::charmmcmap

Definition at line 34 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, and write_psf_structure.

int psfdata::charmmdrude

Definition at line 37 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, and read_psf.

int psfdata::charmmext

Definition at line 36 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, read_bonds, read_psf, and write_psf_structure.

int psfdata::charmmfmt

Definition at line 33 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, and write_psf_structure.

int * psfdata::cterms

Definition at line 43 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, read_angles, write_angles, and write_psf_structure.

int * psfdata::dihedrals

Definition at line 41 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, read_angles, write_angles, and write_psf_structure.

FILE* psfdata::fp

Definition at line 30 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, open_psf_read, open_psf_write, read_angles, read_bonds, read_psf, and write_psf_structure.

int* psfdata::from

Definition at line 39 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, open_psf_write, read_bonds, write_bonds, and write_psf_structure.

int * psfdata::impropers

Definition at line 42 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, read_angles, write_angles, and write_psf_structure.

int psfdata::namdfmt

Definition at line 32 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, read_bonds, read_psf, and write_psf_structure.

int psfdata::nbonds

Definition at line 38 of file psfplugin.c. Referenced by open_psf_write, write_bonds, and write_psf_structure.

int psfdata::numangles

Definition at line 40 of file psfplugin.c. Referenced by read_angles, write_angles, and write_psf_structure.

int psfdata::numatoms

Definition at line 31 of file psfplugin.c. Referenced by open_psf_read, open_psf_write, read_psf, and write_psf_structure.

int psfdata::numcterms

Definition at line 43 of file psfplugin.c. Referenced by read_angles, write_angles, and write_psf_structure.

int psfdata::numdihedrals

Definition at line 41 of file psfplugin.c. Referenced by read_angles, write_angles, and write_psf_structure.

int psfdata::numimpropers

Definition at line 42 of file psfplugin.c. Referenced by read_angles, write_angles, and write_psf_structure.

int * psfdata::to

Definition at line 39 of file psfplugin.c. Referenced by close_psf_read, close_psf_write, open_psf_write, read_bonds, write_bonds, and write_psf_structure.

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The documentation for this struct was generated from the following file:

• psfplugin.c

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