[gmx-users] Umbrella sampling with temperature and pressure coupling method problem

DeChang Li li.dc06 at gmail.com
Tue Oct 19 14:58:41 CEST 2010

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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