Bond Struct Reference

Stores one covalent bond as two atom indices. More...

#include <CharmmPSF.h>

Public Attributes
int	iatom
	Stores the zero-based endpoint indices in iatom, jatom order.

Detailed Description

Stores one covalent bond as two atom indices.

PSF parsing converts both 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.