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MSMBuilder-2.8.1

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@rmcgibbo rmcgibbo released this 17 Mar 23:04
· 1381 commits to master since this release
2.8.1
bae52b1

What's New

  • Internally, MSMBuilder now used MDTraj for trajectory manipulations, substantially simplifying much of the MSMBuilder internals.
  • More stable eigensolver for reversible transition matrices
  • Numerous bug fixes, including one that caused frames from subsequent trajectories to be incorrectly evaluated as overlapping.
  • More modern documentation at msmbuilder.org
  • Time-structure independent components analysis
  • New msmb metascript, a single entry point into the MSMBuilder command line interface.
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