[gmx-users] How to make sure to reach the equalibrium state for the protein solution

[David]

> 
> But How can I know what is the reasonable value for
> the "equilibrium" state. Sometimes, protein will be
> trapped in a local minimum, and its potential seems to
> be "converaged".
> 
Good question, and the next question is how to convince the referees...
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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