I tried with g_energy -vis , but it calculates using einstein relation. I
want to calculate using green kubo equation.
regards,
shanu
On Tue, Jan 12, 2016 at 12:42 AM, David van der Spoel <sp...@xray.bmc.uu.se>
wrote:
> On 11/01/16 22:54, shanmuga sundaram wrote:
>
>> Hello
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
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
