AMBER Archive (2009)
Subject: [AMBER] calculate shear viscosity
From: oguz gurbulak (gurbulakoguz_at_gmail.com)
Date: Mon Mar 02 2009 - 07:35:06 CST
Dear Amber Users,
Does anybody know if Amber can be used in order to obtain the
autocorrelation functions of the stress tensors and calculate the shear
viscosity. Is there an option in Amber to get the calculated accelerations
and pressure tensor elements at the end of each record of md simulation? If
I can get all accelerations and pressure tensor elements of each record, I
can calculate shear viscosity by myself. I would be very grateful if you can
help me about this subject.
Thank you very much for your attention.
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