Welcome to Faunus!

• Introduction
  • About
  • Quick Start
  • Getting Help
• Installing
  • Conda
  • Docker
  • Build from source code
• Development
  • Clangd
  • Code Style
  • Creating a conda package (development usage)
• Running Simulations
  • Input and Output
  • Restarting
  • Diagnostics
  • Parallelization
  • Python Interface
• Topology
  • Global Properties
  • Atom Properties
  • Molecule Properties
  • Initial Configuration
  • Equilibrium Reactions
• Energy
  • Infinite and NaN Energies
  • External Pressure
  • Nonbonded Interactions
  • Parallel summation
  • Electrostatics
  • Pair Potentials
  • Custom External Potential
  • Custom Group-Group Potential
  • Bonded Interactions
  • Geometrical Confinement
  • Solvent Accessible Surface Area
  • Penalty Function
  • Constraining the system
• Monte Carlo Moves
  • Translation and Rotation
  • Internal Degrees of Freedom
  • Parallel Tempering
• Exchange statistics
  • Volume Move
  • Gibbs Ensemble (unstable)
  • Reactive Canonical Monte Carlo
  • Replay
• Langevin Dynamics
• Analysis
  • Density
  • Structure
  • Charge Properties
  • Reaction Coordinate
  • System
  • Perturbations
  • Positions and Trajectories