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ReverseTopOptions Struct Reference

#include <gromacs/domdec/reversetopology.h>


Options for setting up gmx_reverse_top_t.

Public Member Functions

 ReverseTopOptions (gmx::DDBondedChecking ddBondedChecking, bool includeConstraints=false, bool includeSettles=false)
 Constructor, constraints and settles are not including with a single argument.

Public Attributes

const gmx::DDBondedChecking ddBondedChecking_
 For which bonded interactions to check assignments.
const bool includeConstraints_
 Whether constraints are stored in this reverse top.
const bool includeSettles_
 Whether settles are stored in this reverse top.

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