Energy Minimization

From: Shirley Hui (shirleyh_at_gmail.com)
Date: Fri Feb 02 2007 - 14:23:01 CST

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Hello,

I wanted to know if it is possible to perform energy minimizations in
NAMD using a simulated annealing approach? The manual seems to
indicate that NAMD is only able to perform minimization using:

Conjugate gradient approoach or
Velocity quenching scheme

How do you ensure the algorithm isn't trapped in a local minimum?

Thanks
shirley

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