[gmx-users] value of an angle

Justin A. Lemkul jalemkul at vt.edu
Wed Feb 24 21:32:47 CET 2010

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.


> Thanks,
> Carla


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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