Custom External Forces#

Force / Restraint

Description

add_allowed_plane_region

Constraining atoms to a half-space bounded by a 3D plane using custom OpenMM forces

add_allowed_z_region

Constraining atoms within a specific Z-coordinate slab using custom OpenMM forces

add_constant_force

Applying constant pulling or pushing force vectors to target atoms in OpenMM simulations

add_forbidden_plane_region

Preventing atoms from entering a half-space bounded by a 3D plane in OpenMM

add_forbidden_z_region

Repelling atoms from entering a specific Z-coordinate slab in OpenMM simulations

add_harmonic_bond_force

Adding harmonic bond interaction potentials between specific atom pairs in OpenMM

add_plane_harmonic_restraint

Restraining atoms to lie on a 2D plane with harmonic potential wells in OpenMM

add_point_harmonic_restraint

Tethering atoms to target 3D Cartesian coordinates with harmonic positional restraints

pin_atoms

Freezing atom positions by setting their masses to zero in OpenMM simulation systems