WaterMolecule Struct Reference

#include <gromacs/mdlib/constraint_gpu_helpers.h>

Description

Indices of atoms in a water molecule.

Public Attributes
int	ow1
	Oxygen atom.
int	hw2
	First hydrogen atom.
int	hw3
	Second hydrogen atom.

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

• src/gromacs/mdlib/constraint_gpu_helpers.h