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
--
========================================
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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