[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
jalemkul[at]vt.edu | (540) 231-9080
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