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# Interaction function and force fields
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(main source: ftp://ftp.gromacs.org/pub/manual/manual-5.0.7.pdf)
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## Non-bonded interactions
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The Lennard-Jones interaction
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Buckingham potential
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Coulomb interaction
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Coulomb interaction with reaction field
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Modified non-bonded interactions
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Modified short-range interactions with Ewald summation
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## Bonded interactions
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Bond stretching
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Morse potential bond stretching
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Cubic bond stretching potential
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FENE bond stretching potential
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Harmonic angle potential
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Cosine based angle potential
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Restricted bending potential
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Urey-Bradley potential
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Bond-Bond cross term
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Bond-Angle cross term
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## Non-bonded (Pair style) interactions
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#### The Lennard-Jones interaction
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* '''LJ''': The Lennard-Jones interaction
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* lj/charmm/coul/charmm
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* lj/charmm/coul/charmm/implicit
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* lj/charmm/coul/long
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* lj/charmm/coul/msm
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* lj/class2
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* lj/class2/coul/cut
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* lj/class2/coul/long
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* lj/cubic
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* lj/cut
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* lj/cut/coul/cut
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* lj/cut/coul/debye
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* lj/cut/coul/dsf
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* lj/cut/coul/long
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* lj/cut/coul/long/cs
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* lj/cut/coul/msm
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* lj/cut/dipole/cut
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* lj/cut/dipole/long
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* lj/cut/tip4p/cut
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* lj/cut/tip4p/long
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* lj/expand
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* lj/gromacs
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* lj/gromacs/coul/gromacs
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* lj/long/coul/long
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* lj/long/dipole/long
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* lj/long/tip4p/long
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* lj/smooth
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* lj/smooth/linear
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* lj96/cut
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### Buckingham potential
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* '''BUCK''': Buckingham potential
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* buck
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* buck/coul/cut
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* buck/coul/long
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* buck/coul/long/cs
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* buck/coul/msm
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* buck/long/coul/long
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### Coulomb interaction
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* '''COUL''': Coulomb interaction
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* coul/cut
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* coul/debye
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* coul/dsf
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* coul/long
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* coul/long/cs
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* coul/msm
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* coul/streitz
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* coul/wolf
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### Coulomb interaction with reaction field
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### Modified non-bonded interactions
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### Modified short-range interactions with Ewald summation
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### Other
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* hybrid
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* hybrid/overlay
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* adp
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* airebo
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* airebo/morse
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* beck
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* body
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* bop
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* born
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* born/coul/long
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* born/coul/long/cs
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* born/coul/msm
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* born/coul/wolf
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* brownian
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* brownian/poly
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* colloid
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* comb
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* comb3
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* dpd
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* dpd/tstat
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* dsmc
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* eam
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* eam/alloy
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* eam/fs
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* eim
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* gauss
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* gayberne
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* gran/hertz/history
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* gran/hooke
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* gran/hooke/history
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* hbond/dreiding/lj
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* hbond/dreiding/morse
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* kim
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* lcbop
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* line/lj
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* lubricate
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* lubricate/poly
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* lubricateU
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* lubricateU/poly
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* meam
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* mie/cut
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* morse
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* nb3b/harmonic
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* nm/cut
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* nm/cut/coul/cut
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* nm/cut/coul/long
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* peri/eps
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* peri/lps
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* peri/pmb
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* peri/ves
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* polymorphic
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* reax
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* rebo
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* resquared
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* snap
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* soft
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* sw
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* table
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* tersoff
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* tersoff/mod
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* tersoff/zbl
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* tip4p/cut
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* tip4p/long
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* tri/lj
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* vashishta
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* vashishta/table
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* yukawa
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* yukawa/colloid
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* zbl
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## Bond interactions
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### Bond stretching
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* '''harmonic''': Harmonic potential
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* '''???''': Fourth power potential
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### Morse potential bond stretching
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* '''morse''': Morse bond
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### Cubic bond stretching potential
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* '''quartic''': breakable quartic bond
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### FENE bond stretching potential
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* '''fene''': FENE (finite-extensible non-linear elastic) bond
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* fene/expand: FENE bonds with variable size particles
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### Tabulated bonded interaction functions
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* '''table''': tabulated by bond length
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### Other
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* nonlinear: nonlinear bond
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* class2: COMPASS (class 2) bond
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* hybrid: define multiple styles of bond interactions
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## Angle style potentials
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* '''harmonic''': Harmonic angle potential
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* '''cosine'': Cosine based angle potential
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* cosine
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* cosine/delta
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* cosine/periodic
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* cosine/squared
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* '''???''': Restricted bending potential
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* '''???''': Urey-Bradley potential
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* '''???''': Bond-Bond cross term
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* '''???''': Bond-Angle cross term
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* '''???''': Quartic angle potential
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### Other
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* charmm
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* class2
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* table
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* hybrid
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## Proper dihedrals (Dihedral style potentials)
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### periodic type
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### Ryckaert-Bellemans function
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### Fourier function
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### Restricted torsion potential
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### Combined bending-torsion potential
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### Other
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* hybrid
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* charmm
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* class2
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* harmonic
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* helix
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* multi/harmonic
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* opls
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## Improper dihedrals (Improper style potentials)
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### harmonic type
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* '''harmonic''': harmonic type
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### periodic type
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* '''cvff''':
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### Other:
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* hybrid
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* class2
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* umbrella
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Quartic angle potential
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Improper dihedrals
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Proper dihedrals
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Tabulated bonded interaction functions
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## Restraints
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Position restraints
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Flat-bottomed position restraints
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Angle restraints
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Dihedral restraints
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Distance restraints
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Orientation restraints
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## LAMMPS
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### Pair_style potentials
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none
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zero
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hybrid
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hybrid/overlay
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adp
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airebo
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airebo/morse
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beck
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body
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bop
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born
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born/coul/long
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born/coul/long/cs
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born/coul/msm
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born/coul/wolf
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brownian
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brownian/poly
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buck
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buck/coul/cut
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buck/coul/long
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buck/coul/long/cs
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buck/coul/msm
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buck/long/coul/long
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colloid
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comb
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comb3
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coul/cut
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coul/debye
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coul/dsf
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coul/long
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coul/long/cs
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coul/msm
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coul/streitz
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coul/wolf
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dpd
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dpd/tstat
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dsmc
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eam
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eam/alloy
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eam/fs
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eim
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gauss
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gayberne
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gran/hertz/history
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gran/hooke
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gran/hooke/history
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hbond/dreiding/lj
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hbond/dreiding/morse
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kim
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lcbop
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line/lj
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lj/charmm/coul/charmm
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lj/charmm/coul/charmm/implicit
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lj/charmm/coul/long
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lj/charmm/coul/msm
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lj/class2
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lj/class2/coul/cut
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lj/class2/coul/long
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lj/cubic
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lj/cut
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lj/cut/coul/cut
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lj/cut/coul/debye
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lj/cut/coul/dsf
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lj/cut/coul/long
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lj/cut/coul/long/cs
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lj/cut/coul/msm
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lj/cut/dipole/cut
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lj/cut/dipole/long
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lj/cut/tip4p/cut
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lj/cut/tip4p/long
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lj/expand
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lj/gromacs
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lj/gromacs/coul/gromacs
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lj/long/coul/long
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lj/long/dipole/long
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lj/long/tip4p/long
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lj/smooth
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lj/smooth/linear
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lj96/cut
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lubricate
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lubricate/poly
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lubricateU
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lubricateU/poly
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meam
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mie/cut
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morse
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nb3b/harmonic
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nm/cut
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nm/cut/coul/cut
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nm/cut/coul/long
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peri/eps
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peri/lps
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peri/pmb
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peri/ves
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polymorphic
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reax
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rebo
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resquared
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snap
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soft
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sw
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table
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tersoff
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tersoff/mod
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tersoff/zbl
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tip4p/cut
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tip4p/long
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tri/lj
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vashishta
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vashishta/table
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yukawa
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yukawa/colloid
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zbl
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#### USER:
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awpmd/cut
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buck/mdf
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coul/cut/soft
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coul/diel
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coul/long/soft
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dpd/fdt
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dpd/fdt/energy
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eam/cd
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edip
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eff/cut
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exp6/rx
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gauss/cut
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lennard/mdf
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list
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lj/charmm/coul/long/soft
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lj/cut/coul/cut/soft
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lj/cut/coul/long/soft
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lj/cut/dipole/sf
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lj/cut/soft
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lj/cut/thole/long
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lj/cut/tip4p/long/soft
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lj/mdf
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lj/sdk
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lj/sdk/coul/long
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lj/sdk/coul/msm
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lj/sf
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meam/spline
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meam/sw/spline
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mgpt
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morse/smooth/linear
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morse/soft
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multi/lucy
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multi/lucy/rx
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quip
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reax/c
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smd/hertz
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smd/tlsph
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smd/triangulated/surface
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smd/ulsph
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smtbq
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sph/heatconduction
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sph/idealgas
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sph/lj
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sph/rhosum
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sph/taitwater
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sph/taitwater/morris
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srp
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table/rx
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tersoff/table
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thole
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tip4p/long/soft
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* awpmd/cut
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* buck/mdf
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* coul/cut/soft
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* coul/diel
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* coul/long/soft
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* dpd/fdt
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* dpd/fdt/energy
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* eam/cd
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* edip
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* eff/cut
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* exp6/rx
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* gauss/cut
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* lennard/mdf
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* list
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* lj/charmm/coul/long/soft
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* lj/cut/coul/cut/soft
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* lj/cut/coul/long/soft
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* lj/cut/dipole/sf
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* lj/cut/soft
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* lj/cut/thole/long
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* lj/cut/tip4p/long/soft
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* lj/mdf
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* lj/sdk
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* lj/sdk/coul/long
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* lj/sdk/coul/msm
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* lj/sf
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* meam/spline
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* meam/sw/spline
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* mgpt
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* morse/smooth/linear
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* morse/soft
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* multi/lucy
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* multi/lucy/rx
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* quip
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* reax/c
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* smd/hertz
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* smd/tlsph
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* smd/triangulated/surface
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* smd/ulsph
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* smtbq
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* sph/heatconduction
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* sph/idealgas
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* sph/lj
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* sph/rhosum
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* sph/taitwater
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* sph/taitwater/morris
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* srp
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* table/rx
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* tersoff/table
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* thole
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* tip4p/long/soft
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### Bond_style potentials
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none
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zero
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hybrid
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class2
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fene
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fene/expand
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harmonic
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morse
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nonlinear
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quartic
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table
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#### USER:
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harmonic/shift
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harmonic/shift/cut
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* harmonic/shift
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* harmonic/shift/cut
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### Angle_style potentials
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none
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zero
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hybrid
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charmm
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class2
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cosine
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cosine/delta
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cosine/periodic
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cosine/squared
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harmonic
|
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table
|
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#### USER:
|
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cosine/shift
|
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cosine/shift/exp
|
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dipole
|
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fourier
|
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fourier/simple
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quartic
|
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sdk
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* cosine/shift
|
|
|
* cosine/shift/exp
|
|
|
* dipole
|
|
|
* fourier
|
|
|
* fourier/simple
|
|
|
* quartic
|
|
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* sdk
|
|
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*
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|
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*
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|
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|
|
|
### Dihedral_style potentials
|
|
|
|
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|
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none
|
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zero
|
|
|
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|
hybrid
|
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|
|
charmm
|
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|
|
class2
|
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|
|
harmonic
|
|
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|
|
|
helix
|
|
|
|
|
|
multi/harmonic
|
|
|
|
|
|
opls
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
#### USER:
|
|
|
|
|
|
cosine/shift/exp
|
|
|
|
|
|
fourier
|
|
|
|
|
|
nharmonic
|
|
|
|
|
|
quadratic
|
|
|
|
|
|
spherical
|
|
|
|
|
|
table
|
|
|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
* cosine/shift/exp
|
|
|
* fourier
|
|
|
* nharmonic
|
|
|
* quadratic
|
|
|
* spherical
|
|
|
* table
|
|
|
|
|
|
|
|
|
### Improper_style potentials
|
|
|
|
|
|
|
|
|
|
|
|
none
|
|
|
|
|
|
zero
|
|
|
|
|
|
hybrid
|
|
|
|
|
|
class2
|
|
|
|
|
|
cvff
|
|
|
|
|
|
harmonic
|
|
|
|
|
|
umbrella
|
|
|
|
|
|
|
|
|
|
|
|
#### USER:
|
|
|
|
|
|
cossq
|
|
|
|
|
|
distance
|
|
|
|
|
|
fourier
|
|
|
|
|
|
ring
|
|
|
|
|
|
|
|
|
* cossq
|
|
|
* distance
|
|
|
* fourier
|
|
|
* ring
|
|
|
|
|
|
## Kspace solvers
|
|
|
|
|
|
|
|
|
ewald
|
|
|
|
|
|
ewald/disp
|
|
|
|
|
|
msm
|
|
|
|
|
|
msm/cg
|
|
|
|
|
|
pppm
|
|
|
|
|
|
pppm/cg
|
|
|
|
|
|
pppm/disp
|
|
|
|
|
|
pppm/disp/tip4p
|
|
|
|
|
|
pppm/stagger
|
|
|
|
|
|
pppm/tip4p
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
* ewald
|
|
|
* ewald/disp
|
|
|
* msm
|
|
|
* msm/cg
|
|
|
* pppm
|
|
|
* pppm/cg
|
|
|
* pppm/disp
|
|
|
* pppm/disp/tip4p
|
|
|
* pppm/stagger
|
|
|
* pppm/tip4p
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
## Restraints
|
|
|
* Position restraints
|
|
|
* Flat-bottomed position restraints
|
|
|
* Angle restraints
|
|
|
* Dihedral restraints
|
|
|
* Distance restraints
|
|
|
* Orientation restraints
|
|
|
|