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Included DNA.OL24 forcefield#437

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Stanvk wants to merge 2 commits intoopenmm:mainfrom
Stanvk:main
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Included DNA.OL24 forcefield#437
Stanvk wants to merge 2 commits intoopenmm:mainfrom
Stanvk:main

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@Stanvk Stanvk commented Apr 12, 2026

Dear reviewer,

Please consider the following additions and modifications for merge:

  • Added DNA.OL24 forcefield from https://fch.upol.cz/ff_ol/amberOL24.php under amber/files/DNA.OL24/. These refinements improve protein–DNA complex modeling, increasing structural stability and A-form population while preserving accurate canonical B-DNA representation [1].
  • Created the leaprc file, adapted from OL21.
  • Created and ran amber/DNA.OL24.yaml.
  • Added OL24 entry in biopolymer.yaml.
  • Noticed that improper dihedrals DNA.OL21.xml were not consistent with the OL24 definitions, reconverting the OL21 XML file using epretti/ParmEd@3fe415f fixed it.

Let me know if any further changes are needed.

[1] Zgarbova, M.; Sponer, J.; Jurecka, P, Refinement of the Sugar Puckering Torsion Potential in the AMBER DNA Force Field. J. Chem. Theory Comput. 2025, https://doi.org/10.1021/acs.jctc.4c01100.

@Stanvk Stanvk changed the title Included AMBER's DNA.OL24 forcefield Included DNA.OL24 forcefield Apr 13, 2026
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