AMBER Archive (2007)

Subject: AMBER: Simulated Annealing - Best way to create randomness

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Fri May 04 2007 - 15:42:18 CDT

Dear Amber Users,

What is the best way to create different structures over the same annealing
algorithm? Is it unsual to start an annealing run with an initial temperature?
 Currently my approach is to run several annealing runs consecutively using the
last coordinates as the starting coordinates for the next run.

Thanks,
Seth
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