Re: [AMBER] Pytraj Gyration Tensor

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 21 Sep 2017 15:35:56 -0400

.Hai,

On Thu, Sep 21, 2017 at 1:28 PM, Hai Nguyen <nhai.qn.gmail.com> wrote:
> Does cpptraj support that? Can you post (small) output from cpptraj here?

Yes. The data is stored in a vector data set: xx, yy, zz, xy, xz, yz

The data set has the aspect [Tensor]. Example output and data attached.

-Dan 

-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb

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Received on Thu Sep 21 2017 - 13:00:02 PDT
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