Hi,
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
temperatures.
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,
Sarbani
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