4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-1999
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
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)
21 * Also check out our WWW page:
22 * http://md.chem.rug.nl/~gmx
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33 static char *SRCID_sheader_h = "$Id$";
40 #ident "@(#) sheader.h 1.4 11/23/92"
41 #endif /* HAVE_IDENT */
47 typedef struct /* This struct describes the order and the */
48 /* sizes of the structs in a statusfile, sizes are given in bytes. */
50 int ir_size; /* Non zero if input_rec is present */
51 int e_size; /* Non zero if energies are present */
52 int box_size; /* Non zero if a box is present */
53 int vir_size; /* Non zero if a virial is present */
54 int pres_size; /* Non zero if a pressure is present */
55 int top_size; /* Non zero if a topology is present */
56 int sym_size; /* Non zero if a symbol table is present */
57 int x_size; /* Non zero if coordinates are present */
58 int v_size; /* Non zero if velocities are present */
59 int f_size; /* Non zero if forces are present */
61 int natoms; /* The total number of atoms */
62 int step; /* Current step number */
63 int nre; /* Nr of energies */
64 real t; /* Current time */
65 real lambda; /* Current value of lambda */
68 extern void pr_header(FILE *fp,int indent,char *title,t_tpxheader *sh);
70 * This routine prints out a (human) readable representation of
71 * a header to the file fp. Ident specifies the number of spaces
72 * the text should be indented. Title is used to print a header text.
75 #endif /* _sheader_h */