[gmx-users] Onsager coefficient

David van der Spoel spoel at xray.bmc.uu.se
Tue Mar 31 07:28:41 CEST 2020


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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