30 Nov
2017
30 Nov
'17
11:23 a.m.
On 11/29/17 4:13 AM, מירב בריטברד wrote: > Thanks! I have another question, I have 1000 different runs and some of > them is better from others, is there a efficient way to choose only the > runs with the best scores? > and then use AnalysisReplicaExchange0 macro on a reduced list with the > best scores?
I don't think that will buy you anything - the clustering should do a better job given the entire ensemble. If you want to discard entire runs, you'd need to make that decision yourself. You can certainly set the perfiltervalue though to quickly discard the worst-scoring models.
Ben
--
ben@salilab.org https://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
- Sir Arthur Conan Doyle