src/tools/orise.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  * Great Red Oystrich Makes All Chemists Sane
  28  */
  29 static char *SRCID_orise_h = "$Id$";
  30
  31 #include "typedefs.h"
  32 #include "pinput.h"
  33
  34 extern void optim_rise(int nx,rvec *xxav,rvec **EEV,
  35                        real **eevprj,int nnatoms,
  36                        int nnca,atom_id *cca_index,
  37                        t_pinp *p);
  38
  39 extern void optim_radius(int nx,rvec *xxav,rvec **EEV,
  40                          real **eevprj,int nnatoms,
  41                          int nnca,atom_id *cca_index,
  42                          t_pinp *p);
  43