Results for “kmm”

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).

Generates OMG-compliant BPMN 2.0 XML and SVG diagrams from natural language process descriptions, with validation, automatic layout, and optional process optimization advisories.