Hi, You do not need to use the polarizable martini water model to calculate the dipole of molecules. Or I am missing a point here!
g_dipole should do the work XAvier. On May 13, 2012, at 15:11, dina dusti <dinadu...@yahoo.com> wrote: > Dear Justin, > > Thank you very much from your response. > > Best Regards > Dina > > From: Justin A. Lemkul <jalem...@vt.edu> > To: dina dusti <dinadu...@yahoo.com>; Discussion list for GROMACS users > <gmx-users@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 > > ======================================== > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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