[AMBER] Identifying the equilibrated production region of a MD simulation trajectory

From: Leena Aggarwal <leena.hrc.gmail.com>
Date: Sat, 5 Dec 2020 13:07:42 +0530

Dear AMBER Users

Can anyone suggest a way for identifying the equilibrated production region
in the MD simulation trajectory generated through AMBER?
I want to do this using time series module of pymbar through
detectEquilibration method. Is there any way to convert AMBER output to
pymbar input?

Leena Aggarwal
Department of Chemistry
University of Delhi
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Received on Sat Dec 05 2020 - 00:00:02 PST
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