[gmx-developers] force field reorganization done

[Erik Marklund]

David van der Spoel skrev:
> On 1/28/10 9:52 AM, Berk Hess wrote:
>>
>> GMXDATA is set but currently not used by any Gromacs program.
>> So I think we should currently not rely on that, unless we decide to do
>> so and check it thoroughly.
>>
>> Berk
>>
> It is more a grompp problem, if you write topologies yourself you have 
> to give the full path to the force field files.
>
> Maybe we should kick out both GMXDATA and GMXLIB variables, and rely 
> on the installation information?
>
I for one use the GMXDATA variable now and then as a shortcut to the 
force field files.

Erik

-- 
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys