Conformational dynamics of the ORF2p

Molecular dynamics data (dcd, pdb, psf). The psf, pdb and dcd files were obtained while extracting all heavy atoms of the ORF2p protein complex from the full trajectory and topology data (with all the ligands, water, protons, ions). The 3+Gb trajectories are concatenated from smaller ones and used for the analysis. Additionall, ipynb files from the EnGen run are provided alongside the pickle dumps of engen and cluster objects. PDB files of the representative structures (cluster "centers") are provided in the archives png files from clustering and measurement results are provided in the archives. the numfram files are catdcd logs