Labels

• A coffee ☕

  Supported our effort with a cup of coffee ☕
• alascan
• amber-files
• announcement
• bug

  Something isn't working
• Can't reproduce

  I cannot reproduce the error based on my development environment, or more information is required.
• cas_intdiel

  Produces different energy for the same system according to the mutated residue
• Centos7
• charmm
• command-line
• documentation

  Improvements or additions to documentation
• duplicate

  This issue or pull request already exists
• enhancement

  New feature or request
• Exception

  It cannot be fixed, we can only limit its use or point it out to the user
• good first issue

  Good for newcomers
• gromos
• help wanted

  Extra attention is needed
• high priority

  High priority to solve the issue
• improvement
• incomplete description

  The user did not understandably report the problem
• Inconsistent input files

  Problems with user-defined files. i.e, number of atoms mismatch between tpr and trajectory
• installation
• invalid

  This doesn't seem right
• limitation
• low priority

  Low priority to solve the issue
• LPH Particle
• medium priority

  Medium priority to solve the issue
• MTP
• needs revision
• ParmEd

  Using incompatible ParmEd version