[gmx-users] dipole moment

Justin A. Lemkul jalemkul at vt.edu
Sun May 13 14:53:37 CEST 2012

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
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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