Re: berendsen thermostat

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Nov 15 2010 - 08:56:01 CST

On Mon, Nov 15, 2010 at 9:15 AM, divya nayar <divya.alchemist_at_gmail.com> wrote:
> Hi,
> How can I use Berendsen thermostat in NAMD? Is there any option to use any
> other thermostat in NAMD, other than Lanevin thermostat?

the manual lists the available options:
http://www.ks.uiuc.edu/Research/namd/2.7/ug/node31.html

why do you want to use a berendsen thermostat at all?

that can be a pretty bad choice as it enhances
temperature differences in your system instead
of dissipating them (as langevin does).

axel.

> Thanks,
> Divya

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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