GROMACS Protein Analysis
v1.0.0蛋白质分子动力学模拟分析的流程知识指南。当 Agent 需要执行某个分析但不清楚具体流程时调用。涵盖九种核心分析的完整工作流：(1) PBC 修正 - 消除周期性边界伪影，居中蛋白质/配体；(2) RMSD 分析 - 测量结构稳定性和模拟收敛性；(3) RMSF 分析 - 评估每个残基的灵活性；(4) 回转半径分...
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MIT-0
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LicenseMIT-0 · Free to use, modify, and redistribute. No attribution required.
Security Scan
OpenClaw
Benign
high confidencePurpose & Capability
Name/description (GROMACS protein analysis) align with the content: all required commands, file types (.xtc/.tpr/.ndx) and helper tools (gmx, dit, DuIvyTools) are appropriate and expected for this purpose; there are no unrelated env vars, binaries, or credentials requested.
Instruction Scope
SKILL.md contains concrete, narrowly scoped runtime instructions for local file analysis (trjconv, covar, rms, rmsf, gyrate, sasa, etc.). It references other agent skills (gromacs-skills, duivytools-skills) for calling tools/visualization — this is reasonable and documented. The instructions do not direct reading of unrelated system files, do not ask for secrets, nor do they post data to external endpoints.
Install Mechanism
Instruction-only skill with no install spec and no bundled code — minimal surface area. Users must have GROMACS/dit/duivytools installed on their system, but nothing in the skill attempts to download or install packages.
Credentials
No environment variables, credentials, or config paths are requested. The variables and resources referenced (trajectory, topology, index files) are proportional to the analyses described.
Persistence & Privilege
always is false and the skill does not request elevated or persistent privileges. disable-model-invocation is false (normal) but the skill itself does not require additional privileges or modify other skills or system-wide settings.
Assessment
This skill is a documentation-only workflow for common GROMACS analyses and appears internally consistent. Before installing or allowing autonomous invocation: ensure you have the local tools it assumes (gmx, dit, and any DuIvyTools tool) on the agent host; verify the behavior and trustworthiness of the referenced helper skills (gromacs-skills, duivytools-skills) if the agent will call them; and remember that trajectory and topology files may contain sensitive IP/data — the skill operates on local files and does not declare external uploads, but check any downstream skills or visualizers to confirm they also do not send data off-host.Like a lobster shell, security has layers — review code before you run it.
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License
MIT-0
Free to use, modify, and redistribute. No attribution required.