[gmx-users] sridhar-location of topology files

David spoel at xray.bmc.uu.se
Sat Apr 26 12:15:01 CEST 2003

On Sun, 2003-04-27 at 00:24, 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.''

for database files you can set an environment variable
setenv GMXLIB mypath

alternatively you can put the files in your working directory. Check the
output from pdb2gmx and grompp, they usually print which version they
are using.

> Thanks in anticipation of your suggesstions.
> sridhar.
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Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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