Membrane Protein MD (GROMACS)

PaperCodeNeed >5GB

Simulate membrane proteins embedded in lipid bilayers using GROMACS with CHARMM36 force field

Readiness

Readiness: Need >5GB
Smoke: passed
Artifacts: passed
Production: not_started
Storage: >5
Strategy: large shared SIF/database/model bundle phase
Next: Add membrane-specific adapter with CHARMM36/lipid topology assets, membrane embedding, solvation/ionization, minimization smoke, and Slurm/API artifact validation.

large model weights, structure DBs, docking/MD assets, or GPU stack likely >5GB 2026-07-17T01:36:00+08:00 SOP Need >5GB next-10 audit: remains Need >5GB. Backend has GROMACS binaries and generic gromacs production evidence, but this catalog tool is membrane-specific and needs CHARMM36/lipid topology assets plus membrane embedding/solvation/ionization workflow. Existing object-store job is generic-smoke; do not promote by aliasing to the generic minimization adapter.