U2-intron strand displacement towards branch helix

Datasets from the U2-intron strand displacement simulations U2_BPH_data - simulation setup data, input files, reference structures, analysis files (see also this repo) trajectories/* - trajectory data (all without water) and the respective topologies (*.parm7). All trajectories are strided with 1 frame per 1 ns in the strand_displacement_*/ directories: nomod_* are trajectories with no force-field modification hbf_* are trajectories with HBfix hbfstf_* are trajectories with HBfix and stafix in the metadynamics/ directories: rep_*cut.xtc are non-stroden trajectories with spurious parts cut out (see SI for details). These were used to calculate energies (and correspond to the deposited HILLS files) rep*_full_strode.xtc are trajectories strode without the cut-outs HILLS - HILLS files from the metadynamics, raw and averaged, where applicable.