[gmx-users] Nose-hoover T-coupling in REMD

[Qin Qiao]

I'm not sure, since actually kinetic energy should have fluctuation, and the
v-rescaling may suppress the fluctuation..

2010/12/25 ms <devicerandom at gmail.com>

> On 25/12/10 02:12, Qin Qiao wrote:
>
>> Thanks a lot!
>>
>> It says Nose-hoover coupling generates the correct canonical ensemble, and
>> that's the reason why I used it. I wonder whether v-rescale can also get
>> the
>> correct ensemble. Could you tell me?
>>
>
> As far as I know v-rescale should generate a correct ensemble.
>
>
> --
> Massimo Sandal, Ph.D.
> http://devicerandom.org
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