[gmx-users] Micellar shape

[Justin Lemkul]

On 2/5/20 12:01 AM, Shan Jayasinghe wrote:
> Dear Gromacs Users,
>
> I want to determine whether I got prolate or oblate micelle in my MD
> simulation. I calculated moment of inertia for a micelle after doing
> clustering. I want to know  how do I determine whether it is prolate or
> oblate depending on moment of inertia calculations.

Compute the ellipticity.

-Justin

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

Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

==================================================