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

[shanmuga sundaram]

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)?


regards,

shanu