Search results

Allow for other barostats in <code>SystemGenerator</code>

Status: Open.

#413 In openmm/openmmforcefields;

· hannahbaumann opened on Oct 20, 2025

Discrepancy in espaloma energies when using template generator, which calls regenerate_impropers

Status: Open.

#412 In openmm/openmmforcefields;

· diogomart opened on Oct 16, 2025

Amber ff19ipq is not a complete/published release

Status: Open.

#410 In openmm/openmmforcefields;

· jeremyleung521 opened on Oct 14, 2025

Bump default SMIRNOFF force field to 2.2.1?

Status: Open.

#409 In openmm/openmmforcefields;

· mattwthompson opened on Oct 6, 2025

ambertools &gt;=20 missing in conda-forge openmmforcefields install

Status: Open.

#406 In openmm/openmmforcefields;

· AharoniLab opened on Sep 29, 2025

Add NBFIX to Amber forcefield to the xml

Status: Open.

#405 In openmm/openmmforcefields;

· DanielWicz opened on Sep 29, 2025

Problem with Espaloma template generator

Status: Open.

#404 In openmm/openmmforcefields;

· mallanos opened on Sep 2, 2025

Validate Amber force fields against sander energies/forces

Status: Open.

#393 In openmm/openmmforcefields;

· epretti opened on Jul 25, 2025

-c conda-forge lipid17.xml does not match GitHub version

Status: Open.

#387 In openmm/openmmforcefields;

· MiloszGrabski opened on Jul 2, 2025

Difference in Generalized Born energy

Status: Open.

#380 In openmm/openmmforcefields;

· tejtaruns opened on May 26, 2025

Some CHARMM patches incorrectly apply to certain residues

Status: Open.

#377 In openmm/openmmforcefields;

· epretti opened on May 3, 2025

Small Molecule Template Generator for CHARMM36 (CgenFF)

Status: Open.

#376 In openmm/openmmforcefields;

· dohyeonscottkim opened on Apr 22, 2025