On Thu, May 03, 2012, Albert wrote:
>
> 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?
Generally, you can mix and match thermostats and barostats: choose your
velocity regulation scheme as you would for any other pressure method.
[I think most Amber users choose the Langevin thermostat with a weak coupling
for constant pressure simulations.]
....dac
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Received on Thu May 03 2012 - 13:00:02 PDT
