[IMP-users] Monte carlo temperature in ReplicaExchange0

[Genis Valentin <>]

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