Skip to content

0.10.3

Latest
Compare
Choose a tag to compare
@mikemhenry mikemhenry released this 15 Sep 18:45
· 3 commits to main since this release
6c6419f

What's Changed

Enhancements

Documentation

  • Added MPI example with dipeptide mutation by @ijpulidos in #1228
  • Update comments in RESTCapableHybridTopologyFactory doc string by @zhang-ivy in #1189
  • Clean examples -- CLI protein-ligand example for Tyk2 by @ijpulidos in #1223

Bug Fixes

  • Fix spectator support by @ijpulidos in #1233
  • Realtime analysis interval to default to checkpoint interval by @ijpulidos in #1227
  • Correctly set cutoff for CustomNonbondedForce in HybridTopologyFactory when using a non-default cutoff distance. by @mikemhenry in
  • Backport openfe fixes for context deletion by @mikemhenry in #1229

Testing/CI/Packaging

Full Changelog: 0.10.2...0.10.3