/*
 * $Id: mdatoms.h,v 1.16 2003/11/17 21:50:40 spoel Exp $
 * 
 *                This source code is part of
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 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
 * Copyright (c) 2001-2004, The GROMACS development team,
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#ifndef _mdatoms_h
#define _mdatoms_h

#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "typedefs.h"

extern t_mdatoms *atoms2md(FILE *fp,t_atoms *atoms,ivec nFreeze[],
			   bool bBD,real delta_t,real fric,real tau_t[],
			   bool bPert,bool bFree);
/* This routine copies the atoms->atom struct into a t_mdatoms struct
 * and then frees the atoms->atom struct if bFree is set.
 */

extern void md2atoms(t_mdatoms *md,t_atoms *atoms,bool bFree);
/* And vice versa */
#endif
