AMBER: Identifying water molecules with ptraj

From: Joseph Fernandez <>
Date: Sun, 1 May 2005 14:00:59 -0700 (PDT)

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?


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Received on Sun May 01 2005 - 22:53:00 PDT
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