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gmx::LinkFrontier Struct Reference

#include <gromacs/applied_forces/qmmm/qmmmtypes.h>

Description

Helper structure with indexes of broken bonds between QM and MM Used to determine and store pair of QM and MM atoms between which chemical bond is broken.

Public Attributes

Index qm
 Global index of QM atom at Frontier.
 
Index mm
 Global index of MM atom at Frontier.
 

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