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Adds support for multiple bonded forces in OpenMM Systems #1528
Adds support for multiple bonded forces in OpenMM Systems #1528
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badisa
commented
Mar 18, 2025
- More defensive, as duplicate forces can produce incomplete systems
- Useful if needed to build custom OpenMM systems
* More defensive, as duplicate forces can produce incomplete systems * Useful if needed to build custom OpenMM systems
…nmm-deserialization
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if isinstance(force, mm.PeriodicTorsionForce): | ||
torsion_idxs_ = [] | ||
torsion_params_ = [] | ||
perioidic_forces = get_forces_by_type(omm_forces, mm.PeriodicTorsionForce) |
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typo, and/or rename to torsion_forces
?
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Fixed in 3c3c4d7
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lgtm (save for small typo)