[gmx-users] Protein dipole moments

Justin Lemkul jalemkul at vt.edu
Thu Apr 11 17:13:20 CEST 2019

On 4/10/19 1:02 AM, Emran Heshmati wrote:
> What are the physical meaning of <|M|^2> and <|M|>^2 in the outputs of gmx
> dipoles command ?? Any help is welcome.

The notation suggests the average of the squared dipoles and the square 
of the average dipoles, respectively. Check the source code to be sure.



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


More information about the gromacs.org_gmx-users mailing list