Re: [AMBER] 'cluster' option of ptraj: Is it possible to directly feed a file with rmsd values as input?

From: Jianyin Shao <jyshao2004.gmail.com>
Date: Fri, 3 Sep 2010 13:14:22 -0600

Hi Bill,

Thank you for the information. I have used that and may take a look into the
carnal code.

Jianyin

On Fri, Sep 3, 2010 at 11:58 AM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> > However, due to the
> > circularity, the sum and average of dihedral angles could be tricky.
>
> See
>
> http://en.wikipedia.org/wiki/Directional_statistics
>
> Batschelet, E. Circular statistics in biology, Academic Press, London,
> 1981. ISBN 0-12-081050-6.
>
> the method from there was implemented in carnal and likely ptraj.
>
> Bill
>
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Received on Fri Sep 03 2010 - 12:30:03 PDT
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