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