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Speeding up addHydrogens

Status: Open.

#4815 In openmm/openmm;

· scschneider44 opened on Feb 28, 2025

How to add extraparticle when importing forcefied?

Status: Open.

#4814 In openmm/openmm;

· H-EKE opened on Feb 28, 2025

debian12 x86_64, cuda-repo-debian12-12-8-local_12.8.0-570.86.10-1_amd64.deb compiler internal error

Status: Open.

#4813 In openmm/openmm;

· truatpasteurdotfr opened on Feb 27, 2025

Improvements in latest OpenMM

Status: Open.

#4808 In openmm/openmm;

· lukeczapla opened on Feb 22, 2025

Segfault on HIP using rocm 6.1.3 and 6.3.1

Status: Open.

#4807 In openmm/openmm;

· JorgeG94 opened on Feb 21, 2025

Adding NBFix like corrections to the ForceField object

question

Status: Open.

#4806 In openmm/openmm;

· selimsami opened on Feb 20, 2025

ATMForce: NaN Error during Simulation

Status: Open.

#4805 In openmm/openmm;

· zhi-wang opened on Feb 20, 2025

LangevinMiddleIntegrator - Molecules have different temperatures (hypothesis)

Status: Open.

#4803 In openmm/openmm;

· shakespearemorton opened on Feb 18, 2025

Writing electrostatics, LJ energy and ESP for a subset of atoms during MD simulation

Status: Open.

#4802 In openmm/openmm;

· praban07 opened on Feb 16, 2025

Simulation Crash After Several Hours in OpenMM

Status: Open.

#4801 In openmm/openmm;

· gaoxiangcao opened on Feb 15, 2025

Problem with Simulating SP2 Patch

Status: Open.

#4800 In openmm/openmm;

· JINEV opened on Feb 14, 2025

Recommended simulation settings and MD customs

Status: Open.

#4798 In openmm/openmm;

· Erikna00 opened on Feb 14, 2025