[gmx-users] Pressure coupling constants

[Michael Shirts]

You're right, NVE would probably be better!  Otherwise, you would not
get expansionary cooling.

On Thu, Dec 12, 2013 at 7:08 PM, kpsanto <santo.kp at gmail.com> wrote:
> guess that right! but why do you think NVT scaling of velocities is physical
> which should also affect the non-equilibrium expansion process?
>
> thanks in advance
> Santo
>
> -----
> K. P. Santo
> Post doctoral fellow
> Department of Chemistry
> University of North Carolina at Chapel Hill
> Chapel Hill, NC, USA
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