Simpatico  v1.10

The OrthoBoxExternal interaction implements a repulsive 9-3 confining potential that confines particles in one or more direction. For each Cartesian direction i=0, 1, or 2 for which i is greater than or equal to a user provided integer indexConfinement, the interaction creates a repulsive potential centered around x[i] = 0 or x = L[i], thus confining x[i] to the domain 0 < x[i] < L[i]. Setting indexConfinement = 0 thus confines the particles in all three directions, indexConfinement = 1 confines the particles in the y and z direction, and indexConfinement = 2 confines the particles only in the z direction. The form of the potential in each direction is the same as that used in the one-dimensional SlitExternal potential, which confines particles only in the z (i=2) direction.

The parameter file format is:

indexConfinement integer
epsilon float
sigma float
cutoff float

As in SlitExternal, the parameter $\rho$ has a hard-coded default value of $\rho \equiv 0.7$.