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

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Fri, 3 Sep 2010 10:58:31 -0700

> 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 - 11:00:06 PDT
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