[gmx-users] Green Kubo viscocity calculation

[David van der Spoel]

On 29/08/15 10:19, Aishwary Shivgan wrote:
> Hi gromacs users,
>           Is there way to calculate viscosity from gromacs runs using green
> kubo formalism?
>
Check g_energy. How accurate these are is hard to tell, but see e.g. 
Hess, J Chem Phys 116 (2002) 209-217.

I am working on implementing more methods to compute viscosity.

-- 
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