I'm a beginner in replica exchange MD and have few questions.
1. Equilibration: how to judge if the duration of the equilibration is long
enough? In the Amber tutorials (A7), 200 ps of equilibration was performed.
Is 200 ps of simulation usually good enough?
2. In replica exchange, how many times of exchange should I expect?
Thanks for the help!
Sophia
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Received on Sun Oct 24 2010 - 17:30:03 PDT
