[gmx-users] How do I redirect grompp errors to a file for parsing?

David Mobley dmobley at gmail.com
Thu Jun 1 20:36:08 CEST 2006

So, this is probably a stupid question, but for some reason I can't
figure out how to do it...

I need to run a ton of small MD jobs for a whole bunch of different
small molecules, some few of which have errors in their topologies
which cause grompp to fail with an error. Therefore, I need some
automated way of grabbing the output of grompp and parsing it to
identify errors so that I can go back and track down the problems.

However, I can't for the life of me figure out how to get grompp to do
anything other than just print the errors to the screen. For example,
standard things like:

grompp (usual args) > file.dat

fail to redirect the errors.

Any suggestions? I'm sure I'm missing something obvious.


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