[gmx-users] How to make sure to reach the equalibrium state for the protein solution
spoel at xray.bmc.uu.se
Sun Jul 31 16:29:37 CEST 2005
> 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 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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