4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
12 * Copyright (c) 1991-2001
13 * BIOSON Research Institute, Dept. of Biophysical Chemistry
14 * University of Groningen, The Netherlands
16 * This program is free software; you can redistribute it and/or
17 * modify it under the terms of the GNU General Public License
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19 * of the License, or (at your option) any later version.
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34 * Good ROcking Metal Altar for Chronical Sinners
40 static char *SRCID_sheader_h = "$Id$";
46 #ident "@(#) sheader.h 1.4 11/23/92"
47 #endif /* HAVE_IDENT */
53 typedef struct /* This struct describes the order and the */
54 /* sizes of the structs in a statusfile, sizes are given in bytes. */
56 int ir_size; /* Non zero if input_rec is present */
57 int e_size; /* Non zero if energies are present */
58 int box_size; /* Non zero if a box is present */
59 int vir_size; /* Non zero if a virial is present */
60 int pres_size; /* Non zero if a pressure is present */
61 int top_size; /* Non zero if a topology is present */
62 int sym_size; /* Non zero if a symbol table is present */
63 int x_size; /* Non zero if coordinates are present */
64 int v_size; /* Non zero if velocities are present */
65 int f_size; /* Non zero if forces are present */
67 int natoms; /* The total number of atoms */
68 int step; /* Current step number */
69 int nre; /* Nr of energies */
70 real t; /* Current time */
71 real lambda; /* Current value of lambda */
74 extern void pr_header(FILE *fp,int indent,char *title,t_tpxheader *sh);
76 * This routine prints out a (human) readable representation of
77 * a header to the file fp. Ident specifies the number of spaces
78 * the text should be indented. Title is used to print a header text.
81 #endif /* _sheader_h */