[gmx-users] dipole moment

[dina dusti]

Dear Justin,

Thank you very much from your response.

Best Regards
Dina



________________________________
 From: Justin A. Lemkul <jalemkul at vt.edu>
To: dina dusti <dinadusti at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Sunday, May 13, 2012 5:23 PM
Subject: Re: [gmx-users] dipole moment
 


On 5/13/12 8:41 AM, dina dusti wrote:
> Dear GROMACS Specialists,
> 
> I have one system consists of water and two other molecules. I work by MARTINI
> CG force field. I want to calculate dipole moment of molecules in water.
> May I ask you to help me, Please?
> 

I doubt you can.  Unless you are using version 2.P of the force field (which contains polarizable water), MARTINI uses a single, uncharged particle to represent water.  If there are no charges, there is no dipole.

-Justin

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

Justin A. Lemkul, Ph.D.
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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