Re: [AMBER] External Force Method in pmemd.cuda

From: Ismail, Mohd F. <>
Date: Wed, 21 Mar 2012 17:46:59 +0000

Thanks Jason.

Mohd Farid Ismail
Graduate Student
Dept. of Chemistry/Biochemistry
University of Oklahoma
Norman 73019

From: Jason Swails []
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. <> 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 M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
AMBER mailing list
AMBER mailing list
Received on Wed Mar 21 2012 - 11:00:04 PDT
Custom Search