20 Sep
2021
20 Sep
'21
11:55 a.m.
On 9/14/21 1:56 AM, Altair Hernández wrote: > - Can the file *best.scores.rex.py* be > redirected to a desired folder
That file is used for different IMP processes to swap replica information; it's not really intended for any other purpose.
> Or, is there any way to retrieve the IMP score from a ReplicaExchange > object?
The place to get scores - or any other statistics about a PMI sampling run - is the stat file. It's a simple text format file. The total score for a given model is in the Total_Score attribute.
Ben
--
ben@salilab.org https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle