Hi Olivier,
It is not entirely your question, but:
In general, there is no parallel processing in Modeller, mainly because the
lion share of each run is an MD simulation. Therefore executing modeller on
multiple platform means simply to submit many jobs. That is what automated in
Enfuzion, but many free scheduling software will do the same.
(this is particularly useful in case of loop modeling or modeling many
proteins in a family or in a genome).
with respect to you:
free batch processing softwares: there are many of them
like NQS, PBS, CODINE etc.
after doing some search I found this summary page
http://www.cmpharm.ucsf.edu/~srp/batch/systems.html
I guess, it is a good starting point, but it is not necessarily the best
possible link.
Andras
Oliver Hucke wrote:
>
> Dear modeller users/developers,
>
> we have started to plan a small beowulf cluster for biomolecular
> simulation and intend to use modeller on this cluster.
> Has anybody experience with running modeller on such an architecture? Do
> you have hints that might help us with the design of the cluster?
> One more specific question: do you know about a freely available
> software with the capabilities of the CLUSTOR/EnFuzion package which is
> quite expensive?
>
> Any help is very much appreciated.
>
> Kind regards,
>
> Oliver
>
> --
> ______________________________________
>
> Oliver Hucke
> Inst. fuer Physikalische Chemie II
> Universitaet Freiburg
> Albertstr. 23a
> D-79104 Freiburg
>
> Tel. : +49-761-203-5130 (/-6179)
> Fax. : +49-761-203-6189
> email:
> ______________________________________
--
,
Andras Fiser, PhD # phone: (212) 327 7216
The Rockefeller University # fax: (212) 327 7540
Box 270, 1230 York Avenue # e-mail:
New York, NY 10021-6399, USA # http://salilab.org/~andras