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_calch_h = "$Id$";
40 #ident "@(#) calch.h 1.8 2/2/97"
41 #endif /* HAVE_IDENT */
44 extern void calc_h_pos(int nht, rvec xa[], rvec xh[]);
46 * w.f. van gunsteren, groningen, july 1981
48 * translated to c d. van der spoel groningen jun 1993
49 * added option 5 jan 95
51 * subroutine genh (nht,nh,na,d,alfa,x)
53 * genh generates cartesian coordinates for hydrogen atoms
54 * using the coordinates of neighbour atoms.
56 * nht : type of hydrogen attachment (see manual)
57 * xh(1.. ) : atomic positions of the hydrogen atoms that are to be
59 * xa(1..4) : atomic positions of the control atoms i, j and k and l
60 * default bond lengths and angles are defined internally