AMBER Archive (2006)

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

From: Gustavo Seabra (gustavo.seabra_at_gmail.com)
Date: Thu Nov 30 2006 - 09:20:00 CST

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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