/usr/include/gromacs/legacyheaders/main.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.
*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
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* modify it under the terms of the GNU Lesser General Public License
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*/
#ifndef _main_h
#define _main_h
#include <stdio.h>
#include "gromacs/fileio/filenm.h"
#include "gromacs/legacyheaders/network.h"
#include "gromacs/legacyheaders/typedefs.h"
#ifdef __cplusplus
extern "C" {
#endif
void gmx_log_open(const char *fn, const t_commrec *cr,
gmx_bool bAppendFiles, FILE**);
/* Open the log file, if necessary (nprocs > 1) the logfile name is
* communicated around the ring.
*/
void gmx_log_close(FILE *fp);
/* Close the log file */
void check_multi_int(FILE *log, const gmx_multisim_t *ms,
int val, const char *name,
gmx_bool bQuiet);
void check_multi_int64(FILE *log, const gmx_multisim_t *ms,
gmx_int64_t val, const char *name,
gmx_bool bQuiet);
/* Check if val is the same on all processors for a mdrun -multi run
* The string name is used to print to the log file and in a fatal error
* if the val's don't match. If bQuiet is true and the check passes,
* no output is written.
*/
void init_multisystem(t_commrec *cr, int nsim, char **multidirs,
int nfile, const t_filenm fnm[], gmx_bool bParFn);
/* Splits the communication into nsim separate simulations
* and creates a communication structure between the master
* these simulations.
* If bParFn is set, the nodeid is appended to the tpx and each output file.
*/
#ifdef __cplusplus
}
#endif
#endif /* _main_h */
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