Hello everyone
I am modeling a system with the ReplicaExchange0 macro and my simulation
constantly falls into a local energy minima after a few replica exchange
steps (<100). This reduces a lot the reproducibility of the simulation,
as the final results greatly depend on the starting configuration of the
rigid bodies. I realized that tweaking temperature parameters improves
the situation, which allows the simulation to sample a much larger space
and hopefully explore all minima. I would like to know if the values
that I chose in the following parameters are in reasonable range.
monte_carlo_temperature = 100
replica_exchange_minimum_temperature = 100
replica_exchange_maximum_temperature = 250
Thank you and best regards
Genis Valentin
