mtop_lookup.h File Reference

#include "gromacs/topology/topology.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/gmxassert.h"

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Description

This file contains inline functions to look up atom information using the global atom index.

Author

Berk Hess hess@.nosp@m.kth..nosp@m.se

Classes
class	MTopLookUp
struct	MTopLookUp::MolblockAtomIndex
	Struct for returning the molecular topology indices of a global atom index. More...
struct	MTopLookUp::AtomAndResidueNameAndNumber
	Struct for returning atom and residue name and index. More...