src/kernel/ter_db.h

   1 /*
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   3  *                This source code is part of
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   7  *          GROningen MAchine for Chemical Simulations
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   9  *                        VERSION 3.2.0
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  12  * Copyright (c) 2001-2004, The GROMACS development team,
  13  * check out http://www.gromacs.org for more information.
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  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _ter_db_h
  37 #define _ter_db_h
  38
  39 #include "sysstuff.h"
  40 #include "hackblock.h"
  41 #include "grompp.h"
  42
  43 extern int read_ter_db(const char *ffdir,char ter,
  44                        t_hackblock **tbptr,gpp_atomtype_t atype);
  45 /* Read database for N&C terminal hacking */
  46
  47 extern t_hackblock **filter_ter(int nrtp,t_restp rtp[],
  48                                 int nb,t_hackblock tb[],
  49                                 const char *resname,
  50                                 const char *rtpname,
  51                                 int *nret);
  52 /* Return a list of pointers to blocks that match residue name */
  53
  54 extern t_hackblock *choose_ter(int nb,t_hackblock **tb,const char *title);
  55 /* Interactively select one.. */
  56
  57 #endif  /* _ter_db_h */