[gmx-developers] Einstin viscosity integral

David van der Spoel spoel at xray.bmc.uu.se
Wed May 28 17:26:50 CEST 2014

I wonder how to interpret the results (more a user question but since
I'm editing the code and don't understand the results I might as well
clarify it).

So I get the Shear Viscosity Integral from the Einstein Viscosity code
and this quickly converges to a constant value for my liquids. The unit
given on the Y-axis is kg m^-1 s^-1 ps (which makes sense for a
viscosity integral). However, if the unit is correct, the viscosity
should be the slope of this curve, which is zero (since my curve is
fluctuating around a constant value). Am I misunderstanding something?

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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