Custom External Forces#
Force / Restraint |
Description |
|---|---|
Constraining atoms to a half-space bounded by a 3D plane using custom OpenMM forces |
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Constraining atoms within a specific Z-coordinate slab using custom OpenMM forces |
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Applying constant pulling or pushing force vectors to target atoms in OpenMM simulations |
|
Preventing atoms from entering a half-space bounded by a 3D plane in OpenMM |
|
Repelling atoms from entering a specific Z-coordinate slab in OpenMM simulations |
|
Adding harmonic bond interaction potentials between specific atom pairs in OpenMM |
|
Restraining atoms to lie on a 2D plane with harmonic potential wells in OpenMM |
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Tethering atoms to target 3D Cartesian coordinates with harmonic positional restraints |
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Freezing atom positions by setting their masses to zero in OpenMM simulation systems |