cc-by-4.0Ollila, O. H. Samuli2025-04-292017-10-132017-10-13https://datakatalogi.helsinki.fi/handle/123456789/5047MD simulation data for Pseudomonas aeruginosa TonB-CTD. Simulated with Amber ff99SB-ILDN force field, tip4p water model at 310K, Gromacs software package. Simulation reported in "Rotational dynamics of proteins from spin relaxation times and molecular dynamics simulations", Ollila et al. Submitted (2017).dataset