src/kernel/resall.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 _resall_h
  31 #define _resall_h
  32
  33 static char *SRCID_resall_h = "$Id$";
  34
  35 #ifdef HAVE_IDENT
  36 #ident  "@(#) resall.h 1.16 9/30/97"
  37 #endif /* HAVE_IDENT */
  38
  39 #include "typedefs.h"
  40 #include "hackblock.h"
  41 #include "grompp.h"
  42
  43 extern t_restp *search_rtp(char *key,int nrtp,t_restp rtp[]);
  44 /* Search for an entry in the rtp database */
  45
  46 extern t_atomtype *read_atype(char *adb,t_symtab *tab);
  47 /* read atom type database */
  48
  49 extern int read_resall(char *resdb, int bts[], t_restp **rtp,
  50                        t_atomtype *atype, t_symtab *tab);
  51 /* read rtp database */
  52
  53 extern void print_resall(FILE *out, int bts[], int nrtp, t_restp rtp[],
  54                          t_atomtype *atype);
  55 /* write rtp database */
  56
  57 #endif  /* _resall_h */