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molecular-dynamics

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 (

View source: K-Dense-AI/scientific-agent-skills ↗

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Install using Skill Manager:

sk install https://github.com/K-Dense-AI/scientific-agent-skills/tree/main/skills/molecular-dynamics/SKILL.md

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