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_superb_h = "$Id$";
40 #ident "@(#) superb.h 1.7 2/2/97"
41 #endif /* HAVE_IDENT */
46 t_block *grps; /* The group members */
47 char **name; /* The group names */
48 int *nrdf; /* Nr of degrees of freedom in a group */
49 real *temp; /* Coupling temperature per group */
50 rvec *acc; /* Acceleration per group */
51 tensor *ekin; /* Array of energy tensors... */
52 rvec *u; /* Mean velocities of home particles */
53 atom_id *invgrp; /* Group number for each atom */
56 extern t_superblock *init_grps(FILE *log,int left,int right,int nodeid,int nnodes,
57 char *gfile,bool bMaster);
58 /* Read a superblock structure from gfile. Do communication if
62 #endif /* _superb_h */