• Welcome

About Force Field X

• Download
• Install
• User Manual
• Applications
• Method Development
• Build from Source
• Developer Guide
• Publications

User Manual

• Introduction
• Commands
  • Energy and Structure Analysis
    • Density
    • Energy
    • FeatureMap
    • Solvator
    • Timer
    • Volume
    • Testing
      • CoordShakeEnergy
      • EnergyOpenMM
      • Gradient
      • LambdaGradient
      • MultiRes
      • MultiTopTimer
      • PrmToProperty
      • RGNtoPDB
      • SaveAsConstantPhPDB
  • Optimization, Superposition, MD and Thermodynamics
    • Anneal
    • BAR
    • Cluster
    • Dynamics
    • ForEachFile
    • Histogram
    • ManyBody
    • Minimize
    • MinimizeCrystals
    • MinimizeOpenMM
    • MutatePDB
    • Scheduler
    • SortArc
    • Superpose
    • SuperposeCrystals
    • Thermodynamics
    • TorsionScan
    • Testing
      • ApplyTorsions
      • CreateRotamers
      • CrystalSearch
      • IdentifyRotamers
      • ManyBodyPhScan
      • MinimizePh
      • OSTGradient
      • PhDynamics
      • RaoBlackwellEstimator
      • SortXPH
  • Real-Space Refinement
    • realspace.Anneal
    • realspace.Dynamics
    • realspace.ManyBody
    • realspace.Minimize
  • X-ray and Neutron Refinement
    • xray.Anneal
    • xray.AverageMTZ
    • xray.CIFtoMTZ
    • xray.ComputeFc
    • xray.Deuterate
    • xray.Dynamics
    • xray.ManyBody
    • xray.Minimize
    • xray.ModelvsData
    • xray.MTZInfo
    • xray.SaveConformerPDB
    • xray.Timer
  • Utilities
    • Biotype
    • Cart2Frac
    • ChainBreaks
    • ImportCIF
    • Fasta
    • Frac2Cart
    • MoveIntoUnitCell
    • PrepareSpaceGroups
    • SaveAsP1
    • SaveAsPDB
    • SaveAsXYZ
    • SaveRotamers
    • ExportQE
• Properties
  • Electrostatics Functional Form
  • Energy Unit Conversion
  • Implicit Solvent
  • Local Geometry Functional Form
  • Non-Bonded Cutoff
  • Particle-Mesh Ewald
  • Potential Function Parameter
  • Potential Function Selection
  • Unit Cell and Space Group
  • Van Der Waals Functional Form
  • Structural Refinement
• Examples
  • Input Files for FFX
  • Convert File Format
  • GPU Accelerated Side-Chain Optimization
  • Side-Chain Optimization and Mutation via Many-Body DEE
  • Organic Crystal Thermodynamics
  • AMOEBA-assisted X-ray Refinement
  • Thermodynamic Polymorph Search
  • GPU Accelerated MC-OST Solvation Free Energy
• Parallelization
• Binder
• Google Colab
• Docker
• Mathematica

Developer Guide

• Introduction
  • Algorithms
  • Crystal
  • Numerics
  • OpenMM
  • Parallel Java
  • Potential
  • Refinement
  • User Interfaces
  • Utilities
• JavaDocs
• License
• Development Team

Project Documentation

• Project Information
  • CI Management
  • Dependencies
  • Dependency Convergence
  • Distribution Management
  • Issue Management
  • Licenses
  • Project Modules
  • Plugin Management
  • Plugins
  • Team
  • Source Code Management
  • Summary
• Project Reports
  • Plugin Updates Aggregate Report
  • Dependency Updates Aggregate Report
  • Javadoc
  • Test Javadoc
  • Source Xref
  • Test Source Xref
  • Surefire
  • CPD