Search results

Supporting more hardware vendors

Status: Open.

#5171 In openmm/openmm;

· philipturner opened on Dec 24, 2025

Is the large performance drop expected when using TorchForce for a small water system?

Status: Open.

#5167 In openmm/openmm;

· KingOfChuXuan opened on Dec 19, 2025

Global parameters for amoeba

Status: Open.

#5166 In openmm/openmm;

· Erikna00 opened on Dec 18, 2025

issue with a phosphorylated Serine

bug

Status: Open.

#5169 In openmm/openmm;

· samuelmurail opened on Dec 17, 2025

Allow nonbonded forces to have different exclusions

enhancement

Status: Open.

#5165 In openmm/openmm;

· epretti opened on Dec 16, 2025

Invalid patches can be hidden by <code>try</code> block

Status: Open.

#5159 In openmm/openmm;

· jgreener64 opened on Dec 7, 2025

NPT equilibration non-deterministically collapses all atoms to the same few coordinates

Status: Open.

#5158 In openmm/openmm;

· mindren-voltaris opened on Dec 5, 2025

device querying

enhancement

Status: Open.

#5157 In openmm/openmm;

· chrisiacovella opened on Dec 4, 2025

Combining parameters with multiple <code>CustomNonbondedForce</code>s

Status: Open.

#5154 In openmm/openmm;

· jgreener64 opened on Dec 1, 2025

Implementation of metropolis criteria on CustomCompoundBondForce

Status: Open.

#5145 In openmm/openmm;

· The4thOne opened on Nov 20, 2025

Constant-stress barostat

enhancement

Status: Open.

#5140 In openmm/openmm;

· fxcoudert opened on Nov 14, 2025

How to flush or close a DCDReporter?

question

Status: Open.

#5139 In openmm/openmm;

· fxcoudert opened on Nov 13, 2025