[gmx-users] Relation between tau_t and nstxout

[Mark Abraham]

Hi,

On Thu, 8 Aug 2019 at 18:41, Neena Susan Eappen <
neena.susaneappen at mail.utoronto.ca> wrote:

> Hello gromacs users,
>
> I am using Nose-hoover thermostat, is it correct to say that tau_t has to
> be less than or equal to nstxout/ nstvout?


No. tau_t describes the rigidity of the coupling. Perhaps you mean
nsttcouple, which describes the period with which the ensemble moves states
described by the extended-ensemble variable. It also need have no relation
with the output period variables.

Because I do not want to record position and velocity before the
> temperature has been relaxed to target temperature?
>

Output is only ever written after the MD update is completed.

Mark


> Please correct me.
>
> Thank you,
> Neena
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