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?
From
Leena Aggarwal
Department of Chemistry
University of Delhi
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Dec 05 2020 - 00:00:02 PST
