[gmx-users] ff library confusion

David van der Spoel spoel at xray.bmc.uu.se
Wed Feb 8 21:45:30 CET 2006


Afshin Nasrabad wrote:
>  Hi everybody,
>
> I'm a new user of Gromacs. I installed the latest
> version of program in my home directory in a cluster.
> As the older version of program already instlled on
> cluster by administrator, I put a prefix (my_) to all
> binary files of program while compilation. Evrything
> is 
> fine unless when I run my_pdb2gmx command, the program
> looks for the older forcefield library installed by
> administartor. Is there any way to define the new path
> for forcefield in my home directory where I installed
> the new version?
>   

source the GMXRC file in your bin dir.

> thanks,
> afshin
>
>
> 	
>
> 	
> 		
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
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