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Article ID: 857 - Last Modified:

Can I run multiple perturbations in a single Desmond FEP job?

While the FEP panels permit running calculations for multiple perturbations at a single site in a single job, such jobs require a large amount of time and disk space. We recommend limiting FEP jobs to one mutation.

As of the 2013-1 release, it is no longer possible to run more than one mutation in a single job.

Keywords: Desmond, FEP

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