Den 2020-03-31 kl. 08:17, skrev Dallas Warren:
3.5.9 Onsager Relations
https://www.iue.tuwien.ac.at/phd/mwagner/node44.html
See 3.146 and 3.147
Thanks, I admit I am not familiar with this stuff, but seeing that this
falls under the heading "Macroscopic Transport Models", what is the
point in a microscopic simulation context? To prove or disprove or
compare to the analytical relations?
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.war...@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 <sp...@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 <sinaomran...@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
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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