[gmx-users] Onsager coefficient

Sina Omrani sinaomrani96 at gmail.com
Wed Apr 1 23:05:32 CEST 2020


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

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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