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_ewald_util_h = "$Id$";
44 extern real ewald_LRcorrection(FILE *fp,t_nsborder *nsb,
45 t_commrec *cr,t_forcerec *fr,
46 real charge[],t_block *excl,rvec x[],
47 matrix box,rvec mu_tot, real qsum,
48 real surface_eps,matrix lrvir);
49 /* Calculate the Long range correction to ewald, due to
50 * 1-4 interactions, surface dipole term and charge terms
53 extern real calc_ewaldcoeff(real rc,real dtol);
54 /* Determines the Ewald parameter, both for Ewald and PME */