AMBER Archive (2005)

Subject: AMBER: Identifying water molecules with ptraj

From: Joseph Fernandez (joefern9999_at_yahoo.com)
Date: Sun May 01 2005 - 16:00:59 CDT


I need to identify the atom ID of the oxygen atom of
each water molecule that comes within a certain
distance of an atom in a protein, over the course of a
trajectory. Is this feasible with ptraj?

Joe

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