src/kernel/hizzie.h

   1 /*
   2  *
   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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  35
  36 #ifndef _hizzie_h
  37 #define _hizzie_h
  38
  39 extern void set_histp(t_atoms *pdba,rvec *x,real angle,real distance);
  40 /* calculate HIStidine protonation state */
  41
  42 #endif  /* _pdb2gmx_h */