Re: [AMBER] viscosity calculation

From: David A Case <>
Date: Fri, 12 Oct 2018 07:56:52 -0400

On Tue, Oct 09, 2018, Lorenzo Gontrani wrote:

> Dear amber gurus, I am currently facing the problem of calculating
> viscosity from MD trajectories.
> Is there any "simple" way of obtaining the pressure tensor trajectory to
> calculate system viscosity through Green Kubo relations?

I was waiting for someone else to (perhaps) chime in. But I'm not aware
of anything like this in the code now: you would probably have to modify
things to output the pressure tensor to a file, and do some


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Received on Fri Oct 12 2018 - 05:00:01 PDT
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