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angle_style 3spn2_stacking command

Syntax:

angle_style 3spn2_stacking 

Examples:

Description:

The 3spn2_stacking angle style uses the potential

with the Morse potential Em decomposed into repulsive

and attractive components

The attractive portion of the potential is modulated by the function f

which uses the difference between the instantenous angle and reference angle (Delta theta = theta - theta_o) and a factor K. Technically, this energy function represents a non-bonded interaction; however, it is currently implemented as an "angle" because it acts between well-defined 3 sites. The user is referred to (Hinckley) for additional details.

The following coefficients must be defined for each angle type via the angle_coeff command as in the example above, or in the data file or restart files read by the read_data or read_restart commands:

NOTE: When using this angle style in a simulations of coarse-grained DNA, it is used together with the angle_hybrid command. As noted in the documentation, pair_coefficients for hybrid angle styles are not stored in the restart file. Therefore, they must be restated in the LAMMPS input file when restarting.


Restrictions: none

This angle style can only be used if LAMMPS was built with the USER-3SPN2 package (which it is by default). See the Making LAMMPS section for more info on packages.

Related commands:

angle_coeff

Default: none


(Hinckley) Hinckley, Freeman, Whitmer and de Pablo. J Chem Phys, XXX, XXX (2013).