Knowledge Base

Article ID: 1238 - Last Modified: April 7, 2011

Can Liaison be run in parallel, (e.g., on a cluster)?

The underlying computational program (impact) is not parallelized (for example, using MPI). However, Liaison jobs can be distributed over multiple processors. If you are simulating several ligand/receptor complexes, Liaison can distribute these independent simulations over multiple processors.

For instructions on configuring your installation for remote and queue submission, please see the "Preparing for Job Submission" and "Preparing for Batch Queue Submission" sections of the Installation Guide.

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