[gmx-users] Nonequilibrium simulations

[jwillcox at andrew.cmu.edu]

I just reread my e-mail and realized that it was posed as a statement and
not a question.  What I meant was:  When I run non-equilibrium simulations
in the Gromacs code using "acc-groups", is the additional acceleration
considered to contribute to the temperature when velocities are adjusted
or not?

Thank you!

Jon

> Hello,
>
> I am running non-equilibrium simulations using the "acc-groups" command
> and the Nose-Hoover thermostat.  I just wanted to confirm that in Gromacs
> code this additional acceleration is not considered to contribute to the
> temperature when velocities are adjusted.
>
> Thank you!
>
> Jon
>
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