Dear Justin,
Thank you very much from your response.
Best Regards
Dina
________________________________
From: Justin A. Lemkul <[email protected]>
To: dina dusti <[email protected]>; Discussion list for GROMACS users
<[email protected]>
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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