Plan molecular dynamics post-processing for materials simulations, including RDF, MSD and diffusion, VACF/VDOS, coordination numbers, bond-angle distributions, stress-strain curves, equilibration detection, PBC unwrapping, and trajectory format choices. Use before writing MD analysis scripts or trusting trajectory-derived results.
Install
npx skills add HeshamFS/materials-simulation-skills --skill md-analysis-plannernpx skills add HeshamFS/materials-simulation-skills --skill md-analysis-planner -a claude-code -gnpx skills add HeshamFS/materials-simulation-skills --skill md-analysis-planner -a codex -ggemini skills install https://github.com/HeshamFS/materials-simulation-skills.git --path skills/simulation-workflow/md-analysis-plannergh skill install HeshamFS/materials-simulation-skills md-analysis-plannergit clone --depth 1 https://github.com/HeshamFS/materials-simulation-skills /tmp/HeshamFS__materials-simulation-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/HeshamFS__materials-simulation-skills/skills/simulation-workflow/md-analysis-planner ~/.claude/skills/md-analysis-planner # Claude Code
cp -R /tmp/HeshamFS__materials-simulation-skills/skills/simulation-workflow/md-analysis-planner ~/.agents/skills/md-analysis-planner # Codex, Cursor, Gemini CLI, Copilot, OpenCode