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Article ID: 220 - Last Modified:

When I run the Generate PhaseDB GUI, I notice that the ConfSites stage runs on only 1 processor even though I allocate multiple processors and subjobs. I have 2500 ligands. How can I get the ConfSites stage to use multiple processors?

The phasedb_confsites job requires at least one database block per CPU, where a block is 5000 compounds. So if you have fewer than 10,000 compounds in the database, the job won't run on multiple CPUs.

Keywords: Phase, Generate PhaseDB, ConfSites, Database, Maestro

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