[gmx-users] Re: parameters of Sodium Sulfate

[Vitaly Chaban]

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
>