AMBER Archive (2008)

Subject: AMBER: ptraj analyze matrix

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Wed May 21 2008 - 09:53:28 CDT

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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