include/renum.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  * Green Red Orange Magenta Azure Cyan Skyblue
  28  */
  29
  30 #ifndef _renum_h
  31 #define _renum_h
  32
  33 static char *SRCID_renum_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) renum.h 1.6 11/23/92"
  37 #endif /* HAVE_IDENT */
  38
  39 #include "typedefs.h"
  40
  41 extern void renum_params(t_topology *top,int renum[]);
  42      /*
  43       * The atom id's in the parameters for the bonded forces will be
  44       * renumbered according to the order specified in renum.
  45       *
  46       * renum[i]=j specifies that atom i will be at postion j after
  47       * renum_params.
  48       */
  49
  50 extern void renumber_top(t_topology *top,rvec *x,rvec *v,rvec *f,int renum[]);
  51      /*
  52       * All atoms in the topology top will be renumbered according to the order
  53       * specified in renum. The vector array's x,v & f will also be renumbered.
  54       *
  55       * renum[i]=j specifies that atom i will be at postion j after
  56       * renumber_top.
  57       */
  58
  59 #endif  /* _renum_h */