src/kernel/gen_dum.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  * GRowing Old MAkes el Chrono Sweat
  28  */
  29
  30 #ifndef _gen_dum_h
  31 #define _gen_dum_h
  32
  33 static char *SRCID_gen_dum_h = "$Id$";
  34
  35 #include "typedefs.h"
  36 #include "grompp.h"
  37 #include "hackblock.h"
  38
  39 /* stuff for pdb2gmx */
  40
  41 extern void do_dummies(int nrtp, t_restp rtp[], t_atomtype *atype,
  42                        t_atoms *at, t_symtab *symtab, rvec *x[],
  43                        t_params plist[], int *dummy_type[], int *cgnr[],
  44                        real mHmult, bool bDummyAromatics);
  45
  46 extern void do_h_mass(t_params *psb, bool is_dum[], t_atoms *at, real mHmult);
  47
  48 #endif  /* _gen_dum_h */