[gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories

[Oliver Stueker]

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