skill

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 (RMSD, RMSF, contact maps, free energy surfaces). For structural biology, drug binding, and biophysics. Use when you need help with molecular dynamics.

KindSkill
Installnpx -y github:anubhavg-icpl/vibe add molecular-dynamics
LicenseCC BY-NC-SA 4.0