Try benchmarking FF with no NAGL

[lilyminium]

Submission Checklist

• Created a new directory in the submissions directory containing the YDS input file and optionally a force field .offxml file
• Triggered the benchmark workflow with a PR comment of the form /run-benchmark path/to/submission
• Waited for the workflow to finish and a comment with Job status: success to be posted
• Reviewed the results committed by the workflow
• Published the corresponding Zenodo entry and retrieved the DOI
• Added the Zenodo DOI to the table in the main README
• Ready to merge!

[lilyminium]

/run-benchmark submissions/2025-05-05-fb-fit-v2-single-mean_unconstrained-no-nagl/input.yaml

[lilyminium]

/run-optimization-benchmarks submissions/2025-05-05-fb-fit-v2-single-mean_unconstrained-no-nagl/input.yaml

[github-actions]

A workflow dispatched to run optimization benchmarks for this PR has just finished.

• Run ID: [14838582156]
• Triggering actor: github-actions[bot]
• Target branch: fb-fit-v2-single-mean_unconstrained-no-nagl
• Job status: failure
  [14838582156]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/14838582156

[lilyminium]

/run-optimization-benchmarks submissions/2025-05-05-fb-fit-v2-single-mean_unconstrained-no-nagl/input.yaml

[github-actions]

A workflow has been dispatched to run the benchmarks for this PR.

• Run ID: 14838761882
• Triggering actor: github-actions[bot]
• Target branch: fb-fit-v2-single-mean_unconstrained-no-nagl

[github-actions]

A workflow dispatched to run optimization benchmarks for this PR has just finished.

• Run ID: [14838761882]
• Triggering actor: github-actions[bot]
• Target branch: fb-fit-v2-single-mean_unconstrained-no-nagl
• Job status: success
  [14838761882]: https://github.com/openforcefield/yammbs-dataset-submission/actions/runs/14838761882