[gmx-users] sridhar-location of topology files

[Christoph Freudenberger]

Mr.Sridhar wrote:
> Dear all GMX users,
> 
> I have a question. The topology files used by gromax programs are located
> in and read from /usr/local/share/gromacs/top directory. Suppose if I as a
> limited priveledged user want to define a topology file to be read
> by gromacs, and I don't have permission to write in
> /usr/local/share/gromacs/top directory, can I give path for this new
> topology file in the .top file, so that it can be read  from somewhere
> in my home directory? I want this because always I need not go to the
> superuser to login for me.
> 

Another posibilty is to copy the whole $GMXDATA/top to a place
in your home directory. then let the include option your the mdp's
point to that directory. Allows you also to make changes to
the forcefield, e.g. add new atomtypes and/or rtp-entries.

-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785