Re: [AMBER] clustering

From: David A Case <>
Date: Thu, 21 Aug 2014 14:14:47 -0400

On Thu, Aug 21, 2014, Lara rajam wrote:
> I have done a MD for small molecule ,
> I would like to do clustering of the frames
> is it possible for me to use the ptraj in amber tools .

Why not? What happens when you try it? Note that cpptraj is generally
preferred (compared to ptraj), but there are some less common clustering
options that are only present in ptraj.


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Received on Thu Aug 21 2014 - 11:30:02 PDT
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