RepulsiveMBasin

RepulsiveMBasinContactPotential #

Repulsive part of the Go-Contact potential, specifically used in MultipleBasin forcefield.

\[U(r) = k\max\left(0, 5\left(\frac{r_0}{r}\right)^{12} - 6\left(\frac{r_0}{r}\right)^{10})\]

Example #

[[forcefields.local]]
interaction = "BondLength"
potential   = "RepulsiveMBasinContact"
topology    = "contact"
parameters = [
    {indices = [0, 1], v0 = 1.0, k = 0.1},
    # ...
]

Input Reference #

  • v0: Floating
    • The native distance. \( r_0 \) in the above equation.
  • k: Floating
    • The strength of the potential.
  • indices: Array of Integers (length = 2)
    • Indices of particles that interact with each other. The index is 0-based.
  • offset: Integer(Optional. By default, 0.)
    • Offset of index.