Re: [gmx-users] Protein dipole moments

2019-04-11 Thread Justin Lemkul




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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[gmx-users] Protein dipole moments

2019-04-10 Thread Emran Heshmati
What are the physical meaning of <|M|^2> and <|M|>^2 in the outputs of gmx
dipoles command ?? Any help is welcome.
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