[gmx-users] Average crystallographic angles for a triclinic box

[Lakshman Ji Verma]

Hi all,

I am trying to validate a force field (ff) for a crystal structure. I have
done isotropic NPT simulations without restrains.
I want to calculate the box length and angle (alpha, beta, gamma) to check
the validity of the ff. I found one similar thread but it doesn't answer
my question.
https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2011-January/057306.html

In this thread, "editconf" has been suggested to calculate box parameters
but it will only give the box parameters for a particular snapshot.
However, I want the average over whole trajectories.
I figured, we can get the average box lengths using "g_energy" but I could
find any option to calculate the averages of box angles.

I would appreciate if anyone can guide me how to calculate the average box
angles.

Thanks
Lakshman