Labels

• amber

  amber

  Relating to files or programs in the Amber suite

• blocked by topology refactor

  blocked by topology refactor

• bug

  bug

  Something isn't working

• dependencies

  dependencies

  Pull requests that update a dependency file

• documentation

  documentation

  Improvements or additions to documentation

• duplicate

  duplicate

  This issue or pull request already exists

• enhancement

  enhancement

  New feature or request

• ergonomics

  ergonomics

• feedback needed

  feedback needed

  Could use feedback from users

• flow

  flow

  Flow of simulation data through workflows

• github_actions

  github_actions

  Pull requests that update GitHub Actions code

• good first issue

  good first issue

  Good for newcomers

• gromacs

  gromacs

  relating to GROMACS

• GROMACS rewrite

  GROMACS rewrite

• help wanted

  help wanted

  Seeking input from the community

• interchange-1.0

  interchange-1.0

• invalid

  invalid

  This doesn't seem right

• lammps

  lammps

  Relating to LAMMPS

• needs-info

  needs-info

  Needs more information from user(s)

• openmm

  openmm

• plugins

  plugins

  Relates to SMIRNOFF plugins

• polymer-performance

  polymer-performance

• question

  question

  Further information is requested

• system preparation

  system preparation

• upstream

  upstream

  Blocked by upstream changes

• virtual sites

  virtual sites

• wontfix

  wontfix

  This will not be worked on