include/wgms.h

   1 /*
   2  * $Id$
   3  *
   4  *                This source code is part of
   5  *
   6  *                 G   R   O   M   A   C   S
   7  *
   8  *          GROningen MAchine for Chemical Simulations
   9  *
  10  *                        VERSION 3.2.0
  11  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  12  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  13  * Copyright (c) 2001-2004, The GROMACS development team,
  14  * check out http://www.gromacs.org for more information.
  15
  16  * This program is free software; you can redistribute it and/or
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  36
  37 #ifndef _wgms_h
  38 #define _wgms_h
  39
  40 #ifdef HAVE_CONFIG_H
  41 #include <config.h>
  42 #endif
  43
  44 #include <stdio.h>
  45 #include "typedefs.h"
  46
  47 extern void write_gms(FILE *fp,int natoms,rvec x[],matrix box);
  48 /* Write a gromos-87 trajectory frame (10f8.3) + box size
  49  * If box == NULL it is not written
  50  */
  51
  52 extern void write_gms_ndx(FILE *fp,int isize,atom_id index[],
  53                           rvec x[],matrix box);
  54 /* Write a gromos-87 trajectory frame (10f8.3) + box size for
  55  * a subset of the atoms.
  56  * If box == NULL it is not written
  57  */
  58
  59 #endif