[gmx-users] viscosity using green kubo relation for ionic liquids

[David van der Spoel]

On 11/01/16 22:54, shanmuga sundaram wrote:
> Hello all,
>
>
> I am trying to find viscosity using green kubo relation for Ionic Liquids.
> I got pressure tensor values (pxx, pyy, pzz, ….) from energy file .edr. How
> to get stress autocorrelation function (SACF) from pressure autocorrelation
> function in MD simulations? Also how to change ACF windows (10, 50, 200ps)
> in getting autocorrelation function from gromacs (usually from g_analyze
> tool)?
>
try
g_energy -vis

>
> regards,
>
> shanu
>


-- 
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