[gmx-users] a question about gmx3.3 replica exchange

[Mu Yuguang (Dr)]

>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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