Re: [AMBER] a question about ensemble

From: Benjamin D Madej <bmadej.ucsd.edu>
Date: Thu, 3 May 2012 19:40:14 +0000

Hi Albert,

The semi-isotopic pressure coupling and constant surface tension is compatible with the three thermostat methods. I won't go into a detailed discussion of the types of temperature regulation, as there are other sources of information about that.

Ben Madej

On May 2, 2012, at 22:34, "Albert" <mailmd2011.gmail.com> wrote:

> hello:
>
> I wondering are the three thermostat methods: Langevin, Berendsen and
> Nose-Hoover chain are all compatible with semi-isotropy coupling style?
> If I would like to use semi-isotropy coupling method, which one would be
> better?
>
> thank you very much
>
> best
> Albert
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Received on Thu May 03 2012 - 13:00:02 PDT
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