/usr/include/gromacs/legacyheaders/mdatoms.h is in libgromacs-dev 5.1.2-1ubuntu1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef _mdatoms_h
#define _mdatoms_h
#include <stdio.h>
#include "gromacs/legacyheaders/types/inputrec.h"
#include "gromacs/legacyheaders/types/mdatom.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
#endif
struct gmx_mtop_t;
t_mdatoms *init_mdatoms(FILE *fp, struct gmx_mtop_t *mtop, gmx_bool bFreeEnergy);
void atoms2md(struct gmx_mtop_t *mtop, t_inputrec *ir,
int nindex, int *index,
int homenr,
t_mdatoms *md);
/* This routine copies the atoms->atom struct into md.
* If index!=NULL only the indexed atoms are copied.
*/
void update_mdatoms(t_mdatoms *md, real lambda);
/* (Re)set all the mass parameters */
#ifdef __cplusplus
}
#endif
#endif
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