[gmx-users] Pressure coupling constants
mrshirts at gmail.com
Fri Dec 13 04:01:55 CET 2013
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
> K. P. Santo
> Post doctoral fellow
> Department of Chemistry
> University of North Carolina at Chapel Hill
> Chapel Hill, NC, USA
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