Hello Jurgen--
>
> So e.g. in:?xplor-nih-2.27/eginput/gb1_rdc/.runAll
>
> the command:?
>
> xplor -quick -py -parallel anneal.py?
>
> should already use multiple cores?
>
It will use multiple cores if you specify which nodes to run on using
the -machines option, or you use the -smp option (in which -parallel
is redundant). e.g.
xplor -quick -py -smp 4 anneal.py
best regards--
Charles
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Charles Schwieters email: Charles at Schwieters.org
www: http://schwieters.org/cds
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