[gmx-users] Fatal error:Library file aminoacids.dat not found in current dir nor in default directories
ostueker at gmail.com
Tue Jun 2 17:34:28 CEST 2009
On 6/1/09 11:48 PM, Mark Abraham wrote:
> Jinyao Wang wrote:
>> 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
>> (You can set the directories to search with the GMXLIB path variable)
>> How can I solve it?
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:
just after sourcing GMXRC in my .bashrc, worked for me.
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