There is a log attached in the first e-mail. My first reaction was the same. Why 14 :). Marius
On Mon, Apr 6, 2009 at 1:10 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Pawan Kumar wrote: > >> Hi, >> >> You should add 14 cl ions. >> > > Why 14? The number of Cl- ions that are necessary is pretty much spelled > out by grompp, and the net charge of the system is printed in the .top (qtot > section in [atoms]). If your system has a net charge of +2, add 2 Cl- ions, > and so forth. > > -Justin > > >> Regards, >> Pawan >> >> On Mon, Apr 6, 2009 at 12:26 PM, akalabya bissoyi < >> bissoyi.akala...@gmail.com <mailto:bissoyi.akala...@gmail.com>> wrote: >> >> hello gromacs >> i am trying to minimise my protein-ligand complex in gromacs.but it >> shows that system has non zero charge >> can any body says how much *cl ion*, i have to add to neutralised >> it. i am terminal window text. >> thank u >> -- AKALABYA BISSOYI >> N.I.T.Rourkela >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> <mailto: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 >> <mailto:gmx-users-requ...@gromacs.org>. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> 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 >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > ICTAS Doctoral Scholar > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > _______________________________________________ > 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 >
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