Molecular dynamics simulation trajectories and analysis data for Foldback intercoil (FBI) DNA recombination intermediates

This dataset contains molecular dynamics trajectory files and associated GROMACS input files for FBIbasic, FBIhetero, and FBIexchange DNA recombination intermediate models. The archive includes three 50 ns FBIbasic production replicas, one 5 ns FBIhetero structure-generation trajectory, three 50 ns FBIhetero production replicas, one FBIexchange structure-generation workflow, and three 50 ns FBIexchange production replicas. Trajectories are provided as original GROMACS XTC files with corresponding TPR, GRO, and MDP files where available. P–P occupancy and P–P distance analyses reported in the associated manuscript were performed after periodic-boundary-condition correction. The processed figure source data and analysis scripts used for these analyses are available in the companion GitHub repository: https://github.com/BBHH-byb/FBI_simulation_dataset.