MD simulation data for Helicobacter pylori TonB-CTD (residues 194-285) (PDB ID: 5LW8; BMRB entry: 34043), Amber ff99SB-ILDN, OPC4, 310K, Gromacs
MD simulation data for Helicobacter pylori TonB-CTD (residues 194-285) (PDB ID: 5LW8; BMRB entry: 34043). Simulated with Amber ff99SB-ILDN force field, OPC4 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).