Recommended solvation box size

From: Philip Peartree (
Date: Wed Aug 29 2007 - 05:33:36 CDT


I am running a simulation of a protein, and I wish to solvate in TIP3 waters.
What would be the recommended distance from the protein to the edge of the
periodic box that I need to solvate? Is 12 angstroms enough or would you
recommend more?

Philip Peartree

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