[gmx-users] fatal error in grompp

[Florian Haberl]

Hi,


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

Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------