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Parallel computing?

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Parallel computing?

Have anyone used the docking protocol in parallel?
If yes, can I have a copy of the script via mail at

Thanks & Regards,

Thu, 2010-08-19 08:39

It should work in MPI out of the box. Compile it with extras=mpi on the command line.

This flavor of MPI requires that you manually create output directories ahead of time (one per processor). The Gray lab is fixing that for 3.2.

Thu, 2010-08-19 13:15