gmx_molblock_t Struct Reference

#include <gromacs/topology/topology.h>

Description

Block of molecules of the same type, used in gmx_mtop_t.

Public Attributes
int	type = -1
	The molecule type index in mtop.moltype.
int	nmol = 0
	The number of molecules in this block.
std::vector< gmx::RVec >	posres_xA
	Position restraint coordinates for top A.
std::vector< gmx::RVec >	posres_xB
	Position restraint coordinates for top B.

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

• api/legacy/include/gromacs/topology/topology.h