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gmx_molblock_t Struct Reference

#include <gromacs/topology/topology.h>


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::RVecposres_xA
 Position restraint coordinates for top A.
std::vector< gmx::RVecposres_xB
 Position restraint coordinates for top B.

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