gromacs-skills
Pass
Audited by Gen Agent Trust Hub on Mar 5, 2026
Risk Level: SAFE
Full Analysis
- [SAFE]: The skill serves as a technical documentation and command reference for GROMACS. All commands, parameters, and workflows described are standard for scientific molecular dynamics simulation.
- [COMMAND_EXECUTION]: The skill provides instructions for the agent to execute local GROMACS binaries (e.g.,
gmx pdb2gmx,gmx grompp,gmx mdrun). This is the intended primary function of the skill for performing scientific analysis. The skill explicitly includes a safety notice advising the agent against executing long-running production simulations (mdrun) directly, suggesting instead to generate scripts for the user. - [EXTERNAL_DOWNLOADS]: No remote script downloads or installations were found. The skill references official GROMACS documentation and well-known community resources for information purposes.
- [DATA_EXPOSURE]: No hardcoded credentials or access to sensitive system paths were identified. The skill operates on standard scientific data file formats (.gro, .pdb, .xtc).
Audit Metadata