[AMBER] About PCA and pi-stacking

From: Elisa Pieri <elisa.pieri90.gmail.com>
Date: Tue, 28 Nov 2017 17:51:43 +0100


I have two (unrelated questions):

1 - Is there a way/tool to evaluate the pi-stacking interaction between a
TYR and a TRP in Amber? Did some of you do something similar in the past?
Any suggestion is appreciated.

2 - Can I perform PCA related to CpHMD results using cpptraj (or others)?

Thank you for your time,
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Received on Tue Nov 28 2017 - 09:00:03 PST
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