sarbani chattopadhyay wrote:
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?
Please read the manual section on Replica Exchange.
Mark
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