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gmxdata Struct Reference

List of all members.

Public Attributes
md_file *	mf
int	natoms
int	step
float	timeval
molfile_atom_t *	atomlist
molfile_metadata_t *	meta

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Member Data Documentation

molfile_atom_t* gmxdata::atomlist

Definition at line 45 of file gromacsplugin.C. Referenced by close_gro_write, write_gro_structure, and write_gro_timestep.

molfile_metadata_t* gmxdata::meta

Definition at line 46 of file gromacsplugin.C. Referenced by close_gro_read, close_gro_write, open_gro_read, open_gro_write, and read_gro_molecule_metadata.

md_file* gmxdata::mf

Definition at line 41 of file gromacsplugin.C. Referenced by close_g96_read, close_gro_read, close_gro_write, close_trr_read, close_trr_write, open_g96_read, open_gro_read, open_gro_write, open_trr_read, open_trr_write, read_g96_structure, read_g96_timestep, read_gro_structure, read_gro_timestep, read_trr_timestep, write_gro_timestep, and write_trr_timestep.

int gmxdata::natoms

Definition at line 42 of file gromacsplugin.C. Referenced by open_g96_read, open_gro_read, open_gro_write, open_trr_read, open_trr_write, read_g96_structure, read_g96_timestep, read_gro_structure, read_gro_timestep, read_trr_timestep, write_gro_structure, write_gro_timestep, and write_trr_timestep.

int gmxdata::step

Definition at line 43 of file gromacsplugin.C. Referenced by open_gro_write, open_trr_write, and write_trr_timestep.

float gmxdata::timeval

Definition at line 44 of file gromacsplugin.C. Referenced by open_gro_read.

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

• gromacsplugin.C

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