[gmx-users] doing averages using g_angle

Justin A. Lemkul jalemkul at vt.edu
Wed Dec 2 21:50:37 CET 2009

Amit Choubey wrote:
> On Wed, Dec 2, 2009 at 12:07 PM, Justin A. Lemkul <jalemkul at vt.edu 
> <mailto:jalemkul at vt.edu>> wrote:
>     Amit Choubey wrote:
>         Hi Mark,
>         That is true. But what does the manual refer to when it says
>         the first graph is the average, the rest are the individual angles
>         what and where are the rest? I am only curious because there
>         might be a hidden feature that could be useful for me.
>     Read all of the help information; the command in the .xvg file below
>     shows that you're not yet using the right output options.  Hint:
>     look at the sentence in g_angle -h before the one quoted above, as
>     well as the -ov flag...
> -ov flag gives the average value of angle of the group with time. This 
> is not very useful for me right now.

By using -ov -all, the first column is the average of all groups analyzed, and 
probably is not useful for your purpose, but the subsequent columns are the 
value of the chosen angles at each time frame.  From these data, you could 
pretty easily write a script that calculates the distributions by binning.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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