AutoMD-GROMACS: Automated molecular dynamics simulation workflow - 13 Skills covering system setup, equilibration, production, analysis, free energy, ligand binding, membrane proteins, umbrella sampling, PCA, and workflows. Built-in auto-repair, 84.7% token savings. Part of the AutoMD series.
Automated molecular dynamics simulation workflow for GROMACS, optimized for AI agents with built-in auto-repair and manual knowledge. Part of the AutoMD series for automated MD simulations.
read references/SKILLS_INDEX.yamlbash scripts/<skill>.sh <args>read references/troubleshoot/<skill>-errors.mdBasic (P0): setup, equilibration, production, analysis
Advanced (P1): freeenergy, umbrella, membrane, ligand
Extended (P2): pca, workflow
Utility (P3): protein, utils, run
3-layer progressive disclosure:
Get started: read references/SKILLS_INDEX.yaml