Re: Accelerated MD?

From: Chris Harrison (charris5_at_gmail.com)
Date: Thu Sep 23 2010 - 11:17:07 CDT

Dear Patrick,

The AMD method, as originally published by the McCammon group, has been
implemented in NAMD and is currently being ran through some final tests. It
should be available in the NAMD CVS very soon. If you are interested in
working with the current version, please let me know.

Best,
Chris

-- 
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                            Voice: 217-244-1733
http://www.ks.uiuc.edu/~char               Fax: 217-244-6078
On Thu, Sep 23, 2010 at 9:44 AM, patrick wintrode <pat_wde2_at_yahoo.com>wrote:
> I heard at a conference this summer that the accelerated MD method
> developed by the McCammon group will be implemented in an upcoming release
> of NAMD. Does anyone know when this is expected? I've looked around the
> 2.7b4 release notes and didn't find anything (maybe I'm looking in the wrong
> place?).
>
> Thanks.
>
> Patrick L. Wintrode
> Department of Physiology & Biophysics
> Case Western Reserve University
> Cleveland, OH
>

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