How-to guides# Task-oriented recipes. Each page solves one concrete problem and is self-contained — start here when you already know the basics and want to do something specific. Running simulations# Set up equilibration and production Run with implicit solvent Select GPU devices Restart a simulation Run a simulation from Python Restraints and biased simulations# Use positional restraints Run with PLUMED Neural network potentials# Run an NNP/MM simulation Run a pure NNP simulation Obtain AceFF NNP models Use ANI potentials Debugging# Debug a simulation crash Visualize forces Licensing# Install a node-locked license Deploy a floating license server Advanced# Run from a PDB (OpenMM XML and OpenFF)
