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!
>
>
> Best,
> Yandong,
>
>
A/Prof Aaron Oakley
School of Chemistry
University of Wollongong
Northfields Avenue
Wollongong, NSW, 2522
Australia
Phone: (02) 4221 4347
Fax: (02) 4221 4287
Email: aarono_at_uow.edu.au
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:22:24 CST