4 * This source code is part of
8 * GROningen MAchine for Chemical Simulations
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
12 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
13 * Copyright (c) 2001-2004, The GROMACS development team,
14 * check out http://www.gromacs.org for more information.
16 * This program is free software; you can redistribute it and/or
17 * modify it under the terms of the GNU General Public License
18 * as published by the Free Software Foundation; either version 2
19 * of the License, or (at your option) any later version.
21 * If you want to redistribute modifications, please consider that
22 * scientific software is very special. Version control is crucial -
23 * bugs must be traceable. We will be happy to consider code for
24 * inclusion in the official distribution, but derived work must not
25 * be called official GROMACS. Details are found in the README & COPYING
26 * files - if they are missing, get the official version at www.gromacs.org.
28 * To help us fund GROMACS development, we humbly ask that you cite
29 * the papers on the package - you can find them in the top README file.
31 * For more info, check our website at http://www.gromacs.org
34 * GROningen Mixture of Alchemy and Childrens' Stories
36 extern void read_xml(char *fn
,int *step
,real
*t
,real
*lambda
,
37 t_inputrec
*ir
,rvec
*box
,int *natoms
,
38 rvec
**x
,rvec
**v
,rvec
**f
,t_topology
*top
);
39 extern void write_xml(char *fn
,char *title
,t_inputrec
*ir
,rvec
*box
,
40 int natoms
,rvec
*x
,rvec
*v
,rvec
*f
,
41 int nmol
,t_atoms atoms
[],t_idef
*idef
);