[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

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Justin A. Lemkul, Ph.D.
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