AMBER: van der Waals interactions (PTRAJ)

From: Vineet Pande <>
Date: Thu, 17 Mar 2005 14:07:12 +0000

Dear AMBER Users & Developers:

In a simulation, I would like to monitor van der Waals interactions between
a Phenylalanine residue and a pyridyl ring which is a part of inhibitor
bound to the protein. Sort of "stacking interactions" are expected >> Does
any one know whats the best way to trap this info, structurally, with
Ptraj....though energetically its facile (with ANAL module).


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Received on Thu Mar 17 2005 - 14:53:01 PST
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