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v0.3

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@whitead whitead released this 07 Mar 03:30
· 58 commits to master since this release
v0.3
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Learn about vigilant mode.

New Features

  • Added method assert chemical shift validity for biasing

Enhancements

  • Updated to python3
  • Added documentation examples
  • Updated highest supported gromacs version to 2019 and plumed 2.6

Bug Fixes

  • CPT files are now synched when doing replica-exchange
  • Dependencies are now set and pinned
  • EDS Bias restarts can work now beyond 2 restarts
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