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
27 * Good ROcking Metal Altar for Chronical Sinners
33 static char *SRCID_do_md_h = "$Id$";
40 #ident "@(#) do_md.h 1.16 2/2/97"
41 #endif /* HAVE_IDENT */
48 extern time_t do_md(FILE *log,t_commrec *cr,int nfile,t_filenm fnm[],
49 bool bVerbose,bool bCompact,int stepout,
50 t_parm *parm,t_groups *grps,
51 t_topology *top,real ener[],
52 rvec x[],rvec vold[],rvec v[],rvec vt[],rvec f[],
53 rvec buf[],t_mdatoms *mdatoms,
54 t_nsborder *nsb,t_nrnb nrnb[],