[AMBER] Umbrella sampling with temperature and pressure coupling method problem

From: DeChang Li <li.dc06.gmail.com>
Date: Tue, 19 Oct 2010 20:57:33 +0800

Dear all,

    I want to use umbrella sampling to calculate the PMF of the
conformational transition of a protein. What temperature coupling method and
pressure coupling method should I use? Berendsen temperature coupling or
Nose-Hoover temperature coupling? Or each one is OK?
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Received on Tue Oct 19 2010 - 06:00:03 PDT