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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37 int maxbond; /* Max number of bonds per atom */
38 int nnodes; /* The number of nodes */
39 int nbound; /* The number of nodes with edges */
40 int start; /* The first atom in this graph */
41 int end; /* The last atom in this graph */
42 int *nedge; /* For each node the number of edges */
43 atom_id **edge; /* For each node, the actual edges (bidirect.) */
44 ivec *ishift; /* Shift for each particle */
49 #define SHIFT_IVEC(g,i) ((g)->ishift[(i)-(g)->start])