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

[Mark Abraham]

Oliver Stueker wrote:
> 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.

Sigh, indeed, you're right. I've always "overridden" GMXLIB by hand to
accommodate some of my foibles. GMXRC not setting GMXLIB seems to defeat
the point.

Mark