Hello, I’m reading an article. The viscosity of water in electrostatic field is divided into two directions: perpendicular to electric field and parallel to electric field. I would like to ask, I use NVT non-equilibrium simulation method, and then use GMX energy calculated viscosity, the result is perpendicular to the direction of the electric field or parallel to the direction of the electric field? Thank you very much
Hi,
Could you share the reference to the article?
You can use the output of gmx energy -evisco to get the result for each off-diagonal component of the pressure tensor (+ the average between the three), so in principle it should be possible.
However, I am not sure it makes a lot of sense to use equilibrium Einstein/Green-Kubo formulas to compute the viscosity of a system that is driven out of equilibrium, probably the best thing would be to couple the electric field to a shear box deformation and compute the viscosity in the cases where the deformation velocity is parallel and perpendicular to the applied field.
