[gmx-users] Re: parameters of Sodium Sulfate

[fang yuan]

What about sulfonate, does anyone has parameters for [(SO3)-]

On Sat, Jun 12, 2010 at 9:17 AM, Vitaly Chaban <vvchaban at 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.birgani at 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
> >
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