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 3.1
  11  * Copyright (c) 1991-2001, University of Groningen, The Netherlands
  12  * This program is free software; you can redistribute it and/or
  13  * modify it under the terms of the GNU General Public License
  14  * as published by the Free Software Foundation; either version 2
  15  * of the License, or (at your option) any later version.
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  30  * GROningen Mixture of Alchemy and Childrens' Stories
  31  */
  32
  33 #ifndef _gen_dum_h
  34 #define _gen_dum_h
  35
  36 static char *SRCID_gen_dum_h = "$Id$";
  37 #include "typedefs.h"
  38 #include "grompp.h"
  39 #include "hackblock.h"
  40
  41 /* stuff for pdb2gmx */
  42
  43 extern void do_dummies(int nrtp, t_restp rtp[], t_atomtype *atype,
  44                        t_atoms *at, t_symtab *symtab, rvec *x[],
  45                        t_params plist[], int *dummy_type[], int *cgnr[],
  46                        real mHmult, bool bDummyAromatics, char *ff);
  47
  48 extern void do_h_mass(t_params *psb, bool is_dum[], t_atoms *at, real mHmult,
  49                       bool bDeuterate);
  50
  51 #endif  /* _gen_dum_h */