[gmx-users] viscosity

[Evan Lowry]

What method are you using to calculate the viscosity? The Einstein equation
(implemented in g-energy) is dependent upon the kinetic energy via
temperature therefore if the temperature is different at the interface it
will affect the viscosity. The Einstein equation is not a very accurate
method. If you want a better estimate for the viscosity, see the paper by
Berk Hess that I've included below.

Hess, B. (2002). Determining the shear viscosity of model liquids from
molecular dynamics simulations. *The Journal of chemical physics*,*116*(1),
209-217.

Good luck!

Evan L.

On Jul 25, 2016 3:01 PM, "pari lotfi" <bentolhoda.lotfi at gmail.com> wrote:

> Dear all,
>
> I simulate a box of water between two walls. The atoms of walls constrained
> to don't moving.  I saw the viscosity of  the water near the walls is
> smaller than bulk.  Is the constraint of  walls  with increase of
> temperature effect on viscosity?
>
> Thanks,
> Pari
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