Labels

• amber

  Relating to files or programs in the Amber suite
• blocked by topology refactor
• bug

  Something isn't working
• dependencies

  Pull requests that update a dependency file
• documentation

  Improvements or additions to documentation
• duplicate

  This issue or pull request already exists
• enhancement

  New feature or request
• ergonomics
• feedback needed

  Could use feedback from users
• flow

  Flow of simulation data through workflows
• good first issue

  Good for newcomers
• gromacs

  relating to GROMACS
• GROMACS rewrite
• help wanted

  Seeking input from the community
• interchange-1.0
• invalid

  This doesn't seem right
• lammps

  Relating to LAMMPS
• needs-info

  Needs more information from user(s)
• openmm
• plugins

  Relates to SMIRNOFF plugins
• question

  Further information is requested
• upstream

  Blocked by upstream changes
• virtual sites
• wontfix

  This will not be worked on