[gmx-users] dipole moment
dinadusti at yahoo.com
Sun May 13 15:11:49 CEST 2012
Thank you very much from your response.
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users