mstk.ommhelper.force.point_wall_power

mstk.ommhelper.force.point_wall_power(system, particles, reference, k, cutoff, power=2)

Add a spherical wall centered at a reference point so that selected particles are repelled from this point.

The energy equal to k when particle is located at the reference point, and equal to zero when particle stays beyond the cutoff.

Parameters:

  • system (mm.System) –

  • particles (list of int) –

  • reference (list of float) –

  • k (float) –

  • cutoff (float) –

  • power (int, optional) –

Returns:

force

Return type:

mm.CustomExternalForce