[gmx-users] How do I redirect grompp errors to a file for parsing?
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jun 1 20:37:58 CEST 2006
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
at least for csh >&
for sh it is more like 2>&1
> fail to redirect the errors.
> Any suggestions? I'm sure I'm missing something obvious.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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