Hi everybody,
I am having a doubt whether I have understood the
concepts of Replica
exchange molecular dynamics correctly or not.
When a pair of replicas are exchanged, the one at higher
temperature thet has
higher velocities, (which are rescaled after the exchange) comes with a higher
energy. It's
kinetic energy gets reduced as velocities are rescaled. Thus its potential
energy increases.
What happens to the replica that was at lower temperature? It's velocities need
to be increased
to maintain the temperature. What happens to it's potential energy then?
I may be missing a very basic point and any suggestion regarding this will be
highly helpful.
Thanking you,
Sarbani
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