What about sulfonate, does anyone has parameters for [(SO3)-] <br><br><div class="gmail_quote">On Sat, Jun 12, 2010 at 9:17 AM, Vitaly Chaban <span dir="ltr"><<a href="mailto:vvchaban@gmail.com">vvchaban@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">Hmm... What's the problem? OPLS contains the parameters both for S and<br>
O. If you want a better model of this anion, I'd suggest to look for<br>
the respective articles.<br>
<br>
Also, if I'm not mistaken [(SO4)2-] topology was present somewhere in<br>
the original gromacs distribution.<br>
<br>
Best.<br>
<br>
Dr. Vitaly Chaban<br>
<br>
<br>
<br>
On Sat, Jun 12, 2010 at 4:03 PM, shiva birgani <<a href="mailto:sh.birgani@gmail.com">sh.birgani@gmail.com</a>> wrote:<br>
> Hi<br>
><br>
> I am trying to simulate Lysozyme in solution of water and Sodium Sulfate<br>
> (Na2SO4). But I don’t know how I can look for the parameters of [(SO4)2-] in<br>
> OPLS -Force field. Could you please help me in this regards?<br>
><br>
> regards<br>
><br>
> Shiva Birgani<br>
><br>
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