Hi,
I'm running the Monte Carlo Replica Exchange sampling algorithm with IMP.pmi, which allows me to save the best N models. I'm interested in getting the rex score (IMP score) of the best N models after the sampling. So my question is:
- Can the file
best.scores.rex.py be redirected to a desired folder from the function IMP.pmi.macros.ReplicaExchange0, I mean, before it is generated? The thing is that I'm running in parallel the same script, so I need to redirect this file to avoid it being replaced by another one.
Or, is there any way to retrieve the IMP score from a ReplicaExchange object?
Thanks in advance!
Altair