What about sulfonate, does anyone has parameters for [(SO3)-] On Sat, Jun 12, 2010 at 9:17 AM, Vitaly Chaban <vvcha...@gmail.com> wrote:
> Hmm... What's the problem? OPLS contains the parameters both for S and > O. If you want a better model of this anion, I'd suggest to look for > the respective articles. > > Also, if I'm not mistaken [(SO4)2-] topology was present somewhere in > the original gromacs distribution. > > Best. > > Dr. Vitaly Chaban > > > > On Sat, Jun 12, 2010 at 4:03 PM, shiva birgani <sh.birg...@gmail.com> > wrote: > > Hi > > > > I am trying to simulate Lysozyme in solution of water and Sodium Sulfate > > (Na2SO4). But I don’t know how I can look for the parameters of [(SO4)2-] > in > > OPLS -Force field. Could you please help me in this regards? > > > > regards > > > > Shiva Birgani > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.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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