Re: [AMBER] Regarding clustering using mmtsb toolkit

From: David Case <david.case.rutgers.edu>
Date: Thu, 2 Jan 2020 13:35:57 +0000

On Thu, Jan 02, 2020, Sruthi Sudhakar wrote:
>
>I would like to know if there is an alternative software or methods to do
>the clustering in AMBER. Right now, I am doing the tutorial B3 about
>trpcage peptide. If not,could someone tell me about the installation of the
>tool kit? Apologies if the question seems irrelevant. Thanking you all in
>advance.

Sigh....that tutorial was written in 2005. cpptraj now has extensive
clustering capability. Look at its "cluster" command in section 30.12.4
of the Reference Manual.

....dac


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Received on Thu Jan 02 2020 - 06:00:02 PST
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