[gmx-users] Onsager coefficient

[Dallas Warren]

3.5.9 Onsager Relations
https://www.iue.tuwien.ac.at/phd/mwagner/node44.html

See 3.146 and 3.147

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Tue, 31 Mar 2020 at 16:28, 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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