include/do_nm.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 2.0
  11  *
  12  * Copyright (c) 1991-1999
  13  * BIOSON Research Institute, Dept. of Biophysical Chemistry
  14  * University of Groningen, The Netherlands
  15  *
  16  * Please refer to:
  17  * GROMACS: A message-passing parallel molecular dynamics implementation
  18  * H.J.C. Berendsen, D. van der Spoel and R. van Drunen
  19  * Comp. Phys. Comm. 91, 43-56 (1995)
  20  *
  21  * Also check out our WWW page:
  22  * http://md.chem.rug.nl/~gmx
  23  * or e-mail to:
  24  * gromacs@chem.rug.nl
  25  *
  26  * And Hey:
  27  * Good ROcking Metal Altar for Chronical Sinners
  28  */
  29
  30 #ifndef _do_nm_h
  31 #define _do_nm_h
  32
  33 static char *SRCID_do_nm_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) do_nm.h 1.12 03 Mar 1996"
  37 #endif /* HAVE_IDENT */
  38 #include <stdio.h>
  39 #include "typedefs.h"
  40 #include "network.h"
  41 #include "tgroup.h"
  42 #include "stat.h"
  43
  44 extern time_t do_nm(FILE *log,t_commrec *cr,int nfile,t_filenm fnm[],
  45                     bool bVerbose,bool bCompact,int stepout,
  46                     t_parm *parm,t_groups *grps,
  47                     t_topology *top,real ener[],
  48                     rvec x[],rvec vold[],rvec v[],rvec vt[],rvec f[],
  49                     rvec buf[],t_mdatoms *mdatoms,
  50                     t_nsborder *nsb,t_nrnb nrnb[],
  51                     t_graph *graph);
  52
  53 #endif  /* _do_nm_h */