AMBER Archive (2005)

Subject: AMBER: Energy fluctuations

From: David.LeBard_at_asu.edu
Date: Tue Mar 08 2005 - 11:40:46 CST

Hi Amber folks,

I would like to monitor energy fluctuations at every timestep of
my protein simlation, however energy fluctuations are only included in the
final output. I am curious if anyone else has extracted this data from their
simulation results, and if so what is the procedure that was used? If no one
has done this before, can anyone suggest a method for coding such an analysis
program?

Best,
David LeBard

Dept. of Chemistry and Biochemistry
Arizona State University

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