gromacs-md-executor
GROMACS molecular dynamics skill for nanoparticle-biomolecule interaction simulations
npx skills add a5c-ai/babysitter --skill gromacs-md-executor --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# GROMACS MD Executor ## Purpose The GROMACS MD Executor skill provides molecular dynamics simulation capabilities specialized for nanoparticle-biomolecule interactions, enabling investigation of drug delivery systems, protein-surface interactions, and membrane penetration. ## Capabilities - Nanoparticle-protein simulations - Membrane-nanoparticle interactions - Coarse-grained modeling (Martini) - Free energy calculations - Enhanced sampling methods - Trajectory analysis and visualization ## Usage Guidelines ### Bio-Nano MD Workflow 1. **System Preparation** - Parameterize nanoparticle - Solvate system - Add ions for neutralization 2. **Equilibration** - Minimize energy - NVT equilibration - NPT equilibration 3. **Production and Analysis** - Run appropriate sampling - Calculate binding energies - Analyze interactions ## Process Integration - Molecular Dynamics Simulation Workflow - Nanoparticle Drug Delivery System Development ## Input Schema ```json { "nanoparticle_file": "string", "biomolecule_file": "string", "force_field": "CHARMM36|AMBER|Martini", "simulation_type": "binding|membrane|protein_corona", "temperature": "number (K)", "simulation_time": "number (ns)" } ``` ## Output
- Purpose
- Capabilities
- Usage Guidelines
- Bio-Nano MD Workflow
- Process Integration
- Input Schema
- Output Schema
What does the gromacs-md-executor skill do?
GROMACS molecular dynamics skill for nanoparticle-biomolecule interaction simulations
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill gromacs-md-executor --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From a5c-ai/babysitter, a repository with 1,642 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.