Hi all,
Just FYI I’ve just fixed a performance issue in some of the post-clustering
steps in cpptraj (summary, best representative frames calc, silhouette etc)
that in particular would impact clustering runs on high #s of frames (e.g.
100,000 frames with sieving). The fixes are in version 6.2.0 (GitHub). See
https://github.com/Amber-MD/cpptraj/pull/932 for more details.
-Dan
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Received on Tue Jan 18 2022 - 17:30:03 PST
