ImplicitMembrane

ImplicitMembranePotential #

It is a implicit membrane model that stabilizes the region around the plane.

\[U(\mathbf{r}) = \sum_i^N k h_i \tanh\left(\mathrm{bend} * \left(|z_i - z_0| - \frac{\mathrm{thickness}}{2}\right)\right)\]

Example #

[[forcefields.external]]
interaction    = "Distance"
potential      = "ImplicitMembrane"
shape.name     = "AxisAlignedPlane"
shape.axis     = "X"
shape.position = 0.0
shape.margin   = 0.5

bend           = 1.0
thickness      = 4.0
interaction_magnitude = 10.0
parameters  = [
    {index = 0, hydrophobicity = 1.0},
    # ...
]

Input Reference #

  • bend: Floating
    • It modelates the slope between stabilized region and the planner region.
  • thickness: Floating
    • It determines the region where the stabilized.
  • interaction_magnitude: Floating
    • It determines the strength of the potential. \( k \) in the above equation.
  • parameters: Array of Tables
    • index: Integer
      • The index of the particle. The index is 0-based.
    • hydrophobicity: Floating
      • The hydrophobicity of the particle. \( h \) in the above equation.

Remarks #

This feature is developed by contributor, @yutakasi634.