[gmx-users] grompp warnings

Bert de Groot bgroot at gwdg.de
Tue Feb 18 09:44:54 CET 2003

Anton Feenstra wrote:
> Hi All,
> Just a stray thought: what about adding a '-expect' option to grompp,
> to tell it how many warnings you expect. If the number checks out,
> e.g. you expect 2 warnings and you get 2, all is OK and grompp writes
> your .tpr, else it refuses to write and generates a fatal error.
> This would prevent people from automatically ignoring all the useful
> warnings grompp generates... ;-)

oops, pressed the 'send' button a bit too soon there....

doesn't something like that exist already? Only it's called
-maxwarn instead of -expect...



Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de

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