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

[shanmuga sundaram]

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 <spoel at xray.bmc.uu.se>
wrote:

> 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
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