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 3 well-defined 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, the angle 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. See the Making LAMMPS section for more info on packages.
Related commands:
Default: none
(Hinckley) Hinckley, Freeman, Whitmer and de Pablo. J Chem Phys, 139, 144903 (2013).