[gmx-users] fatal error in grompp
Florian Haberl
Florian.Haberl at chemie.uni-erlangen.de
Tue Nov 21 12:17:30 CET 2006
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
--
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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
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