All issues

Search results

Some torsions have two terms with the same periodicity which could be made into one term

Status: Open.

#148In openforcefield/openff-forcefields;

· j-wags opened on Mar 27, 2026

Chemically equivalent angles in arginine are assigned different parameters

Status: Open.

#144In openforcefield/openff-forcefields;

· epretti opened on Mar 6, 2026

Sage has no bonded parameters for diatomic oxygen?

questionFurther information is requestedFurther information is requested

Status: Open.

#140In openforcefield/openff-forcefields;

· timbernat opened on Jan 7, 2026

sulfate angle parameters are incorrectly identified

Status: Open.

#125In openforcefield/openff-forcefields;

· therealchrisneale opened on May 10, 2025

Document electrostatics 1-4 scaling factor changing from 0.833333 to 0.8333333333

documentationImprovements or additions to documentationImprovements or additions to documentation

Status: Open.

#120In openforcefield/openff-forcefields;

· mattwthompson opened on Jan 30, 2025

A problem with cyclopropane proper torsion term

Status: Open.

#60In openforcefield/openff-forcefields;

· drmeister opened on Jan 29, 2023

Chemically equivalent atoms with delocalized formal charge are assigned different torsions

Status: Open.

#56In openforcefield/openff-forcefields;

· chapincavender opened on Sep 23, 2022

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

Status: Open.

#53In openforcefield/openff-forcefields;

· mattwthompson opened on Aug 22, 2022

Add finer-grained "canary" tests

Status: Open.

#28In openforcefield/openff-forcefields;

· j-wags opened on Oct 28, 2020

Automate running HMR "canary" tests before release

Status: Open.

#21In openforcefield/openff-forcefields;

· j-wags opened on Sep 14, 2020