gromacs-biosim-runner
GROMACS molecular dynamics skill specialized for biomolecular systems, protein simulations, and free energy calculations
npx skills add a5c-ai/babysitter --skill gromacs-biosim-runner --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 Biosim Runner Skill ## Purpose Provide specialized integration with GROMACS for biomolecular simulations including protein dynamics, free energy calculations, and enhanced sampling methods. ## Capabilities - Topology preparation and solvation - Energy minimization workflows - NPT/NVT equilibration protocols - Free energy perturbation setup - Trajectory analysis (RMSD, RMSF, RDF) - Enhanced sampling methods (metadynamics, replica exchange) ## Usage Guidelines - Use appropriate water models (TIP3P, TIP4P, SPC/E) - Select force fields compatible with target biomolecules (AMBER, CHARMM, OPLS) - Follow standard equilibration protocols - Monitor system stability during production runs ## Dependencies - GROMACS - pdb2gmx - MDAnalysis - PLUMED (for enhanced sampling) ## Process Integration - Molecular Dynamics Simulation Setup - High-Performance Computing Workflow
- Purpose
- Capabilities
- Usage Guidelines
- Dependencies
- Process Integration
What does the gromacs-biosim-runner skill do?
GROMACS molecular dynamics skill specialized for biomolecular systems, protein simulations, and free energy calculations
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill gromacs-biosim-runner --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.