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

[Tom Joseph]

You'll want to look up redirection operators for whatever shell  
you're using, but here are a couple suggestions:

grompp (usual args) >& file.dat
   - or -
grompp (usual args) 2> file.dat

--Tom

On Jun 1, 2006, at 2:36 PM, David Mobley wrote:

> 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.
>
> Thanks,
> David
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