From: Aaron Oakley (aarono_at_uow.edu.au)
Date: Mon Aug 20 2012 - 23:45:51 CDT
NAMD uses a conjugate gradient and line search algorithm.
On 21/08/2012, at 2:24 PM, yandong Huang wrote:
> Hi, everyone,
> we use commond "minimize" to optimize the initial configure, what i want to know is what kind of algorithm the NAMD adopts to minimize the energy. thanks!
A/Prof Aaron Oakley
School of Chemistry
University of Wollongong
Wollongong, NSW, 2522
Phone: (02) 4221 4347
Fax: (02) 4221 4287
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