Re: [AMBER] Is it possible to run accelerated MD with amber10?

From: Jason Swails <>
Date: Fri, 5 Jul 2013 21:12:13 -0400

On Thu, Jul 4, 2013 at 11:16 PM, Yip Yew Mun <> wrote:

> Hi,
> I'm interested in running aMD since reviews have commented that aMD is
> able to shrink simulations of millisec range to nanosec range. However, I'm
> using amber10 in my lab, therefore by any chance, is it possible to run aMD
> in amber10?

No. You will need to either implement it in Amber 10 yourself or upgrade
to Amber 12.

> Also, I'm not really on the programming side, so is there a tutorial on
> how to conduct an aMD simulation with amber? If not, is there anyone who is
> able to guide me step-by-step on it?

At this point I think that a tutorial is in progress, but until that is
finished you will need to consult the manual.


Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Fri Jul 05 2013 - 18:30:02 PDT
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