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
post-processing.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 12 2018 - 05:00:01 PDT
