Hi Lin, If you include bromide, you won't have excess charge... So, no need for adding more counterions.
Cheers, Tsjerk On Thu, Aug 21, 2008 at 8:20 AM, Chih-Ying Lin <[EMAIL PROTECTED]> wrote: > Hi > It is the water-molecule system. > For a molecule, like R-N(CH3)3-Br, I could make a pdb file either > include Br ion or exclude Br ion. > > If I exclude Br ion, I have to make Br ion as the counter ion for my system. > If I include Br ion, I do NOT have to make Br ion as the counter ion > since it will automatically become the counter ion. > Am I right? > > > Thank you > Lin > _______________________________________________ > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
