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Problems converting Lipid21 ForceField

Status: Open.

#384 In openmm/openmmforcefields;

· MiloszGrabski opened on Jun 20, 2025

Difference in Generalized Born energy

Status: Open.

#380 In openmm/openmmforcefields;

· tejtaruns opened on May 26, 2025

Issue with <code>GAFFTemplateGenerator.generate_residue_template(residue_atoms=xxx)</code>

Status: Open.

#379 In openmm/openmmforcefields;

· ZhaoKe-BIT opened on May 16, 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

User-specified partial charges should not be automatically adjusted by <code>GAFFTemplateGenerator</code>

Status: Open.

#373 In openmm/openmmforcefields;

· epretti opened on Apr 1, 2025

"No template found" error with straight forward simulation of phosphorylated residues

Status: Open.

#354 In openmm/openmmforcefields;

· JoStoe opened on Dec 17, 2024

System Generator for Espaloma

Status: Open.

#352 In openmm/openmmforcefields;

· chabi-fin opened on Nov 12, 2024

Bring Espaloma tests back online

Status: Open.

#343 In openmm/openmmforcefields;

· mattwthompson opened on Jul 19, 2024

CHARMM force fields not fully validated?

Status: Open.

#339 In openmm/openmmforcefields;

· rosemary-mantell-cresset opened on Jun 6, 2024

Improve <code>espaloma</code> Support

Status: Open.

#336 In openmm/openmmforcefields;

· mikemhenry opened on May 13, 2024

enable espaloma tests on python 3.12

Status: Open.

#335 In openmm/openmmforcefields;

· mikemhenry opened on May 10, 2024