molecular-dynamics
•published 2026/03/13
Run and analyze molecular dynamics simulations with OpenMM and MDAnalysis. Set up protein/small molecule systems, define force fields, run energy minimization and production MD, analyze trajectories (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics.
📦 Install Skill
Command line install
Install directly with the `skills` CLI.
npx skills add eric861129/SKILLS_All-in-one/public/SKILLS/Scientific & Research Tools/molecular-dynamicsFile Explorer
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