[gmx-users] time estimation script
David van der Spoel
spoel at xray.bmc.uu.se
Tue Feb 27 11:04:04 CET 2007
Martin Höfling wrote:
> Am Dienstag, 27. Februar 2007 schrieb David van der Spoel:
>
>> mdrun -v
>
> Yep, I know that :-)
> But maybe someone has already implemented a script parsing the output of a
> test mdrun?
>
> Cheers
> Martin
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but it says at the bottom of the md.log file how many ns/day you will get.
--
David.
________________________________________________________________________
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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