[gmx-users] value of an angle

[Justin A. Lemkul]

Carla Jamous wrote:
> Hi everyone,
> please I'm trying to find a way to calculate the value of an angle 
> during the time of my simulation. g_angle calculates a distribution or 
> an average.

If you're only interested in a single angle, then g_angle -ov (with a suitable 
index group) does what you want.  The values printed to the .xvg file (in the 
case of a single angle) correspond to the average of one single angle - the 
instantaneous value.  The average is printed to stdout at the end, but the .xvg 
file should contain the data you want.

-Justin

> 
> Thanks,
> Carla
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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