David thanks for the reply, it was that such references I was looking for. One more little thing. These models describe poorly only the D of the water or for the other solvents too? Bests eef
Message: 6 > Date: Tue, 03 Mar 2009 22:41:04 +0100 > From: David van der Spoel <sp...@xray.bmc.uu.se> > Subject: Re: [gmx-users] Diffusion coefficients ( Exp X Simul ) > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <49ada3f0.4090...@xray.bmc.uu.se> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > Eudes Fileti wrote: > > Hello, someone could suggest me references > > which discusses the difficulty of obtaining > > values for diffusion coefficients in agreement > > to the experimental values? For water that > > is well known, but I do not know of any > > reference that discusses this topic > > You mean that models do not reproduce D? > You could have a look at JCP 119 pp. 7308-7317 (2003) and references > therein. There is quite a lot of literature. > > > Thanks > > eef > > _______________________________________ > > Eudes Eterno Fileti > > Centro de Ciências Naturais e Humanas > > Universidade Federal do ABC > > Rua Santa Adélia, 166 - Bloco B, Sala 1048 > > 09210-170 Santo André - SP Brasil > > +55.11.4437-8408 > > skype: eefileti > > http://cromo.ufabc.edu.br/~fileti/ > > > > > > ------------------------------------------------------------------------ > > > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to gmx-users-requ...@gromacs.org. > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > David van der Spoel, Ph.D., Professor of Biology > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > sp...@xray.bmc.uu.se sp...@gromacs.org http://folding.bmc.uu.se > > > ------------------------------ > > _______________________________________________ > gmx-users mailing list > gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > > End of gmx-users Digest, Vol 59, Issue 31 > ***************************************** >
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
