[gmx-users] g_sgangle

[Justin Lemkul]

On 11/5/12 7:43 AM, akn wrote:
>   Dear gmx users,
>
> I want to compute the angle between two groups. I used g_sgangle -s
> topol.tpr -f conf.gro -n index.ndx -oa sg_angle.xvg.
> As I understand the first column refer to time and the second refer to
> angle. What does the thrid column refer to in xvg file?
>
> @    xaxis  label "Time (ps)"
> @    yaxis  label "Angle (degrees)"
> @TYPE xy
>             0             1     0.0197823
>          0.05            1             0
>           0.1             1             0
>          0.15            1     0.0197823
>           0.2             1             0
>
> Can you give an answer, please?
>

It is the cosine of the angle.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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