Re: [AMBER] Regarding calculation of viscosity of system

From: David A Case <>
Date: Fri, 26 Jun 2015 11:38:25 -0400

On Fri, Jun 26, 2015, MOHD HOMAIDUR RAHMAN wrote:
> I want to calculate viscosity of system from autocorrelation functions of
> the stress tensors.

I don't know of any such analysis tools in Amber. Users generally compute
diffusion constants, and use the Stokes-Einstein relation to relate those to
viscosity. That certainly has its limitations, but you will need to find
another tool, or write your own, to get the functions you describe above.


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Received on Fri Jun 26 2015 - 09:00:03 PDT
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