[gmx-users] Protein dipole moments
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.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
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