Thanks. So pytraj needs a bit work.
My weak defense: there is no test for tensor in cpptraj yet.
Hai
On Thu, Sep 21, 2017 at 3:36 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> .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
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> https://www.lobos.nih.gov/lcb
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Received on Thu Sep 21 2017 - 13:00:03 PDT
