Comments (3)
stefdoerr
commented on August 17, 2024
1
https://github.com/multiscalelab/htmd/commit/2d96dc78f6d0197f476d62b61349ce898abe9977
Done. Any metric type can be used in AdaptiveRun2 now.
Bowman's FAST not yet implemented. Will come as a separate class I think
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stefdoerr
commented on August 17, 2024
Yes, I had my own version of adaptive which accepted any kind of metrics. The Bowman came out with http://www.ncbi.nlm.nih.gov/pubmed/26588361 which is pretty much what I had done and I gave up on it.
Realistically though we should implement this method because it seems very efficient.
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j3mdamas
commented on August 17, 2024
They also published a "Methods in Enzymology", don't know how much more information it may have than the paper.
http://www.sciencedirect.com/science/article/pii/S0076687916300672
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Related Issues (20)
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