On Tue, Aug 16, 2011 at 10:11 PM, manikanthan bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> Jason,
> In our previous discussions we were focusing on using ff10. I have to
> simulate expilicitly DNA+ligand system. Using RESP program the partial
> atomic charges on the ligand can be derived. But I couldn't find
> information regarding how the partial atomic charges are parameterized in
> ff10. Are they done in the same way as in ff99 using HF/6-31G*? Is
> there any article which I can refer to?
>
Yes. If you look at the manual, it will define what "ff10" is. For
proteins, it is ff99SB (and I've verified that it does in fact give the same
results).
HTH,
Jason
>
> Thanks,
> mani
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Aug 16 2011 - 20:00:03 PDT
