From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Thu Aug 09 2012 - 12:17:57 CDT
Thank you for the reply Chris. I was beginning to wonder if there was going to be a reply.
Any estimate on when 2.10 will be out?
From: Chris Harrison [charris5_at_gmail.com]
Sent: Thursday, August 09, 2012 10:11 AM
To: Bennion, Brian
Subject: Re: namd-l: openAtom/NAMD2.9 implementation
The calculations were done using NAMD 2.9, but the code hadn't quite
reached production level so we're releasing it in upcoming 2.10.
Anything more I can help with?
On Mon, Jul 30, 2012 at 11:59 AM, Bennion, Brian <Bennion1_at_llnl.gov> wrote:
> In a recent paper, openAtom and NAMD2.9 were used together to explore the reaction mechanism of ATP hydrolysis.
> The methods seemed to imply that this functionality was readily available. However, a search of the documentation revealed no input parameters to access this functionality. Unless I missed something, which is likely.
> Any pointers to the appropriate documentation or input parameters would be helpful.
> Thank you
> brian bennion
-- Chris Harrison, Ph.D. NIH Center for Macromolecular Modeling and Bioinformatics Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801 http://www.ks.uiuc.edu/Research/namd Voice: 773-570-6078 http://www.ks.uiuc.edu/~char Fax: 217-244-6078
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