multiple MD simulations

From: Aaron Oakley (oakley_at_rsc.anu.edu.au)
Date: Mon Mar 28 2005 - 18:29:39 CST

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Greetings NAMD users,

Have any of you seen this paper?

Caves et al., (1998) Locally accessible conformations of
of proteins: Multiple MD simulations of crambin.
Protein Sci. 7:649-666

In it the authors argue that several short MD simulations
give a more representative ensemble that one long simulation.

Has anyone had experience with this?

Thanks,

aaron++

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