[gmx-users] The Berendsen thermostat does not generate the correct kinetic energy distribution.

[Diogo Vila Viçosa]

I guess the best way to understand it is to read the original works:

http://dx.doi.org/10.1063/1.448118
http://dx.doi.org/10.1063/1.2408420

And try to understand the differences between the two. Afterwards, you
should be able to make a choice suitable for your case.

Best,
Diogo

On Mon, Nov 28, 2016 at 4:48 AM Mijiddorj Batsaikhan <b.mijiddorj at gmail.com>
wrote:

> Dear gmx users,
>
> I want to simulation peptide on membrane. Initial structure was created by
> Charmm-gui, and Charmm-gui gave appropriate mdp files. I have a question
> about grompp's note.
>
> After energy minimization, I want to NVT equilibration, and grompp gave me
> one note as a following
>
> ******
>   The Berendsen thermostat does not generate the correct kinetic energy
>   distribution. You might want to consider using the V-rescale thermostat.
> ******
>
> How is V-rescale thermostat useful for the simulation?
>
>
> Mijiddorj
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