"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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dihedral_style opls command :h3

[Syntax:]

dihedral_style opls :pre

[Examples:]

dihedral_style opls
dihedral_coeff 1 90.0 90.0 90.0 70.0 :pre

[Description:]

The {opls} dihedral style uses the potential

:c,image(Eqs/dihedral_opls.jpg)

Note that the usual 1/2 factor is not included in the K values.

This dihedral potential is used in the OPLS force field and is
described in "(Watkins)"_#Watkins.

The following coefficients must be defined for each dihedral type via the
"dihedral_coeff"_dihedral_coeff.html command as in the example above, or in
the data file or restart files read by the "read_data"_read_data.html
or "read_restart"_read_restart.html commands:

K1 (energy)
K2 (energy)
K3 (energy)
K4 (energy) :ul

[Restrictions:]

This dihedral style can only be used if LAMMPS was built with the
"molecular" package (which it is by default).  See the "Making
LAMMPS"_Section_start.html#2_3 section for more info on packages.

[Related commands:]

"dihedral_coeff"_dihedral_coeff.html

[Default:] none

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:link(Watkins)
[(Watkins)] Watkins and Jorgensen, J Phys Chem A, 105, 4118-4125 (2001).
