AMBER: ptraj analyze matrix

From: Seth Lilavivat <sethl.gatech.edu>
Date: Wed, 21 May 2008 10:53:28 -0400

Dear Amber Users,

I am attempting to calculate entropy using the quasiharmonic approximation.
I am using the "analyze matrix" function in ptraj but am very new to this
kind of analysis. How do you determine how many eigenvectors you analyze?

Thanks,
Seth

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Received on Sun May 25 2008 - 06:07:11 PDT