AMBER Archive (2007)

Subject: Re: AMBER: angle command in Ptraj

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Sat Feb 03 2007 - 07:17:26 CST

I don't think that there is such a thing as "clockwise" for an angle, at
least
not when you only use internal coordinates. Maybe you want to think
about dihedral
angles, which do have a sense of direction.

Esther Brugger wrote:

> If somebody can solve my question with other programs or commands,
> could you please tell me know that? Thank you very much!
>
> */Esther Brugger <esther_brugger_at_yahoo.com>/* wrote:
>
> Dear All,
>
> I have a quesiton about the "Angle" command in Ptraj. Since now I
> want to calculate 2 angles, one is a-b-c (clockwise) and the other
> is a-b-d (counter-clockwise), is it possible to use Angle command
> to calcuate these 2 angle to show these different angle direction,
> I mean by positive and negative value.
>
> Thanks a lot for any help!
>
>
>
> Esther B.
> ------------------------------------------------------------------------
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>
>
> Esther B.
>
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