Welcome to MolTwister’s documentation!

• About MolTwister
• How to cite MolTwister
• How to install MolTwister
  • Obtaining MolTwister
  • Git
  • GCC, G++ and CLang
  • CMake
  • The GNU Readline Library
  • Python/C
  • OpenGL
  • Compiling MolTwister
  • CUDA
  • Using QtCreator
  • Installation of MolTwister
• Tutorials
  • Using the help system
  • Creating a water molecule PDB
  • Creating liquid water
  • Creating a MolTwister script
  • Creating a MolTwister Python script
• Implement new command
  • Command without subcommand
  • Command with subcommand
• List of commands
  • cd
  • lsm
  • ll
  • load
  • genbonds
  • list
  • autoscale
  • del
  • copy
  • add
    • atom
    • atoms
    • mdnonbonded
    • mdbond
    • mdangle
    • mddihedral
  • var
  • varlist
  • mod
    • angle
    • atomname
    • atompos
    • bondlength
    • charge
    • dihedral
    • mass
    • mobility
    • resname
    • rotatesel
    • sigma
    • userdefpbc
  • set
  • get
  • sel
  • print
  • measure
    • angle
    • atompos
    • bondcount
    • bondlength
    • bondlengthdyn
    • bondsep
    • center
    • charge
    • coulombenergy
    • coulombpotential
    • count
    • dihedral
    • overlap
    • pbc
    • radiusofgyration
  • calculate
    • com
    • densitymap
    • densityprofile
    • dihedraldistr
    • dihedraldistrcom
    • dipmom
    • dipmomperturbcharge
    • dipmomperturbzpos
    • dipmomperturbzposexchange
    • dipmomprofile
    • distprobabilitycom
    • energybetween
    • energyoftranslation
    • fft
    • forcebetween
    • hbondcount
    • loading
    • msd
    • paircorrelation
    • potenergymap
    • qbal
    • vacf
    • vdos
    • volumefromdensity
  • gauss9
  • lammps
  • hoomdblue
  • mmol
  • dcd
    • atomicunwrap
    • header
    • numcoordinates
    • numrecords
    • readcoordinate
    • readrecord
    • unwrap
    • wrap
  • mtpython
  • moldyn
    • run
    • ff
    • cfg

Indices and tables

• Index

• Module Index

• Search Page