[gmx-users] Onsager coefficient

[Sina Omrani]

Yes, they are very similar. r with two subscripts means the position of the
center of mass of the lth molecules of component i.

On Thu, 2 Apr 2020 at 13:55, David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> Den 2020-04-01 kl. 23:05, skrev Sina Omrani:
> > Dear Mr Spoel,
> > I have found out that I couldn't attach an image and I am sorry about
> that.
> > here is a link to the picture.
> >
> https://cdn1.imggmi.com/uploads/2020/4/1/1599cd9ac1102e329ff91759d3314725-full.png
>
> Not sure what is meant by r or v with two subscripts. Otherwise it looks
> a bit like Einsteins formula.
> >
> > On Tue, 31 Mar 2020 at 09:59, David van der Spoel <spoel at xray.bmc.uu.se>
> > wrote:
> >
> >> Den 2020-03-30 kl. 22:51, skrev Sina Omrani:
> >>> Hi dear Gromacs users,
> >>> Sorry to ask again but I really appreciate the help on this subject.
> >>>
> >>> thanks.
> >>>
> >>> On Fri, 27 Mar 2020 at 02:23, Sina Omrani <sinaomrani96 at gmail.com>
> >> wrote:
> >>>
> >>>>    Hi, I would like to calculate the Onsager coefficient but after
> >> months of
> >>>> study, I'm not able to do that. if anybody can help me I would really
> >>>> appreciate it. I don't know if there is a specific command to do it or
> >> it
> >>>> needs a series of analyses.
> >>>>
> >>>> P.S. I attached a picture of a formula that calculates the Onsager
> >>>> coefficient from MD.
> >>>>
> >>>> sincerely,
> >>>> Sina Omrani
> >>>>
> >> I see no attachment and google does not help either. What is an Onsager
> >> coefficient?
> >>
> >> --
> >> David van der Spoel, Ph.D., Professor of Biology
> >> Head of Department, Cell & Molecular Biology, Uppsala University.
> >> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> >> http://www.icm.uu.se
> >> --
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>
> --
> David van der Spoel, Ph.D.,
> Professor of Biology
> Uppsala University.
> http://virtualchemistry.org
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