openforcefield/openff-forcefields

Issues

• Add TIP5P

  #83 opened 9 months ago by mattwthompson
  1

• Add SPC/E

  #74 opened 9 months ago by mattwthompson
  0

• Add TIP4P-EW

  #73 opened 9 months ago by mattwthompson
  0

• Test virtual site geometry in water models

  #86 opened 9 months ago by mattwthompson
  0

• Inclusion of atoms relevant for electrolyte design.

  #72 opened a year ago by CompRhys
  5

• Distorted sulfonamide geometries in 2.1.0-rc.1

  #64 opened a year ago by j-wags
  2

• Move away from matching most recent FF version to the version of this package

  #43 opened a year ago by j-wags
  2

• Water and ions

  #4 opened a year ago by davidlmobley
  3

• A problem with cyclopropane proper torsion term

  #60 opened a year ago by drmeister
  3

• Chemically equivalent atoms with delocalized formal charge are assigned different torsions

  #56 opened 2 years ago by chapincavender
  5

• Unclear origin of 90- and 270-degree angle torsion phases

  #53 opened 2 years ago by mattwthompson
  3

• Non-integer charges

  #34 opened 3 years ago by aniketsh
  2

• Detected Incomplete Exceptions and Unassigned Bond Parameters when converting to GROMACS system using ParmEd

  #33 opened 3 years ago by ajfriedman22
  1

• Two molecules that can be parameterized are failing in simulations

  #29 opened 4 years ago by j-wags
  5

• Add finer-grained "canary" tests

  #28 opened 4 years ago by j-wags
  0

• Automate running HMR "canary" tests before release

  #21 opened 4 years ago by j-wags
  2

• Parlsey 1.2.0 fails on HMR simulations with propyne-containing molecules

  #19 opened 4 years ago by j-wags
  9

• Exception for invalid force field file changed

  #17 opened 4 years ago by mattwthompson
  1

• hydroxyl hydrogens correction

  #16 opened 4 years ago by kexul
  2

• Whitespace irregularities in 1.2.0

  #15 opened 4 years ago by j-wags
  0

• Add library charges for monatomic ions?

  #5 opened 4 years ago by davidlmobley
  7

• Standard release process

  #3 opened 4 years ago by j-wags
  1