[gmx-users] fatal error in grompp

Florian Haberl Florian.Haberl at chemie.uni-erlangen.de
Tue Nov 21 12:17:30 CET 2006


On Tuesday 21 November 2006 11:23, Argyrios Karatrantos wrote:
> HI
> i am doing a grompp command, and i am getting the following 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)what that means?thank you in advance

you should source GMXRC in gromacsdir/bin.

if you are using a cvs version it happens here that something went wrong 
with ./bootstrap (curious config on your software i think) and all files 
which should go into /share is still in  '/share/tar-ustar', so grompp 
couldn`t find them, moving them and then it should work.

> Argyris Karatrantos



 Florian Haberl                        
 Universitaet Erlangen/ Nuernberg
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 Mailto: florian.haberl AT chemie.uni-erlangen.de

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