AMBER Archive (2006)

Subject: Re: AMBER: How to run QM/MM simulation of DNA duplex bound with platinum moietes

From: Chengwen Chen (chenchengwen_at_gmail.com)
Date: Wed Dec 13 2006 - 01:01:03 CST

Thank you for your reply. I would try other method.

On 11/30/06, Gustavo Seabra <gustavo.seabra_at_gmail.com> wrote:
>
> You are right, there are no parameters for Pt in any of hte QM methods
> in Amber, and in that it means you can't run the calculation you want
> there, at least not yet.
>
> Gustavo.
>
>
>
> On 11/30/06, Chengwen Chen <chenchengwen_at_gmail.com> wrote:
> > Dear AMBER user,
> >
> > I would like to run QM/MM simulation of DNA duplex bound with platinum
> > moietes with AMBER9. But the elements supported by QM method (check
> from
> > AMBER9 manual) does not include platinum atom. Does it means that I
> can't do
> > this simulation with AMBER? Would you give me any suggersions?
> >
> > Thank you very much!
> >
> > Best wishes,
> > Wendy
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