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

2006-02-27 Thread 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 th

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

2006-02-27 Thread petrucci86
Dear all users : I was testing REMD swap probability with gmx3.3 a few days. Something make me confused : if it\'s successful to exchange properties of system between two temperatures , and there should be a "X" between them, like this: 2 X 3 but what is the meaning of " repl pr " ? i noticed t