[gmx-developers] force field reorganization done

[David van der Spoel]

Another small thing:

pdb2gmx now generates topologies with the full path to the forcefield 
files, e.g.:

; Include forcefield parameters
#include 
"/home/spoel/software-5.0b/share/gromacs/top/oplsaa.ff/forcefield.itp"

Is that what we want?
If I remove the path in
[anfinsen:water/tip4p] % echo $GMXDATA
/home/spoel/software-5.0b/share

to get
; Include forcefield parameters
#include "gromacs/top/oplsaa.ff/forcefield.itp"

grompp does not find the include files anymore.

We probably need to update some code in gmxcpp.c to fix it, such that 
paths relative to $GMXDATA are still recognized.

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se