Thanks Jason.
*******************************
Mohd Farid Ismail
Graduate Student
Dept. of Chemistry/Biochemistry
University of Oklahoma
Norman 73019
________________________________________
From: Jason Swails [jason.swails.gmail.com]
Sent: Wednesday, March 21, 2012 12:35 PM
To: AMBER Mailing List
Subject: Re: [AMBER] External Force Method in pmemd.cuda
On Wed, Mar 21, 2012 at 1:28 PM, Ismail, Mohd F. <farid.ou.edu> wrote:
> Hi,
>
> Is there any SMD-like method implemented in pmemd.cuda? I want to apply
> an external force to certain atoms in my simulation.
>
Not in Amber 11. It will be present (along with the rest of the
restraint-based nmropt functionality) in Amber 12.
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Mar 21 2012 - 11:00:04 PDT
