On 6/1/09 11:48 PM, Mark Abraham wrote:
> Jinyao Wang wrote:
>> Hi,gmx-users
>> I am running a editconf commond like this,
>> editconf_d -f *.gro -bt cubic -c -d 2.5 -o box.gro
>> but I am getting the following the fatal error:
>> Fatal error:
>> Library file aminoacids.dat not found in current dir nor in default
>> directories.
>> (You can set the directories to search with the GMXLIB path variable)
>> How can I solve it?
>
> See
> http://wiki.gromacs.org/index.php/Installation#Getting_access_to_GROMACS_after_installation
>
> Mark
The procedure on that Wiki-Page actually works in (from my personal experience)
only ~90% of the cases:
After I installed Gromacs 4.0.5 on a Cluster in my home-directory, tools like
pdb2gmx kept complaining they couldn't find the topology files, as GMXLIB was
actually not set by GMXRC.
Fortunately adding the line:
export GMXLIB="${GMXDATA}/gromacs/top"
just after sourcing GMXRC in my .bashrc, worked for me.
Oliver
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
