src/tools/pinput.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
  30 #ifndef _pinput_h
  31 #define _pinput_h
  32
  33 static char *SRCID_pinput_h = "$Id$";
  34
  35 #include "typedefs.h"
  36 #include "string2.h"
  37
  38 enum { ptMC, ptREC, ptPTRJ, ptNR };
  39
  40 typedef struct {
  41   real step;
  42   real tol;
  43   real v0;
  44   char base[STRLEN];
  45   char recomb[STRLEN];
  46   char gamma[STRLEN];
  47   int  funct;
  48   int  nsteps;
  49   int  nframes;
  50   int  nskip;
  51   int  nSel;
  52   int  nev;
  53 } t_pinp;
  54
  55 extern void read_inp(char *fnin,char *fnout,t_pinp *p);
  56
  57 #endif