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.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 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
