[gmx-users] a question about gmx3.3 replica exchange
Mu Yuguang (Dr)
YGMu at ntu.edu.sg
Mon Feb 27 12:20:22 CET 2006
>but what is the meaning of " repl pr " ?
It means replica exchange probability .
>i noticed that when "X" symbol appearing , most of the value of " repl
pr" >appoarch 1.0.But in some cases, the value is about 0.2-0.3, also
the "X" >symbol appears.
>So i don\'t really catch the point about the meaning of this value, and
how >does it calculate ?
This is exactly the Monta Carlo process. Please check any papers about
replica exchange method.
thanks for any reply.
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