VsiteTypeAndSign Struct Reference

#include <gromacs/gmxpreprocess/gen_vsite.h>

Description

Struct for handling vsite information for vsite generation inside grompp.

Public Attributes
std::optional< int >	ftype
	The interaction type.
bool	swapSign = false
	Tells whether we should swap the sign of vsites that can have different orientations.

---

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

• src/gromacs/gmxpreprocess/gen_vsite.h