[gmx-users] how many pairs are exchanged in replica exchange

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Tue Nov 25 10:05:35 CET 2008

   I am new to Replica exchange molecular dynamics. 
    I obtained the optimal temperature distribution based on the lowest and highest 
tempearture and exchange probability from the REMD caclulator , available through the 
gromacs homepage.
There were 17 temperaure values as output. I prepared 17  ".tpr" files based on the 
What I want to know is that at each attempted step of replica exchange, how many pairs of 
replicas will be exchanged, and how this is decided?

Thanks in advance,
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