Dihedral Struct Reference

Stores one proper or improper dihedral as four atom indices. More...

#include <CharmmPSF.h>

Public Attributes
int	iatom
	Stores the zero-based indices in file order from iatom through latom.

Detailed Description

Stores one proper or improper dihedral as four atom indices.

PSF parsing converts all atom numbers from the file's one-based convention to zero-based indices into the per-atom arrays owned by CharmmPSF.

Note

Direct aggregate construction and mutation perform no validation.