From: Chris Harrison (charris5_at_gmail.com)
Date: Tue Mar 15 2011 - 09:28:35 CDT
:) Flattering that we have such careful attention paid to the nightly
code releases. The accelerated MD documentation will be available in
the source in the next day or two. Thanks for letting us know you're
interested to use it!
-- 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 Bjoern Olausson <namdlist_at_googlemail.com> writes: > Date: Tue, 15 Mar 2011 14:59:48 +0100 > From: Bjoern Olausson <namdlist_at_googlemail.com> > To: namd-l_at_ks.uiuc.edu > Subject: Re: namd-l: Accelerated MD documentation? > Reply-To: namdlist_at_gmail.com > User-Agent: KMail/1.13.5 (Linux/18.104.22.168-unpatched; KDE/4.4.5; x86_64; ; ) > > On Tuesday 15 March 2011 14:05:19 you wrote: > > I see that accelerated MD is now implemented in the "nightly build" version > > of NAMD. Is there any documentation available describing the details of > > how to invoke it from NAMD, what the parameter names are & etc.? > > > > Thanks. > > > > I am also curious about the new options. > > http://www.ks.uiuc.edu/Research/namd/cvs/ug/node62.html > only lists the same methods as in 2.7 > > > Cheers, > Bjoern > > -- > Bjoern Olausson > Martin-Luther-Universitšt Halle-Wittenberg > Fachbereich Biochemie/Biotechnologie > Kurt-Mothes-Str. 3 > 06120 Halle/Saale > > Phone: +49-345-55-24942
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