cc-by-4.0Ollila, O. H. Samuli2025-04-292022-02-022022-02-02https://datakatalogi.helsinki.fi/handle/123456789/4770DPPC lipid bilayer simulation (300 ns) with CHARMM36-LJPME force field using OpenMM at 323K. Used in https://doi.org/10.1021/acs.jctc.1c00951 The force field parameters were downloaded from https://terpconnect.umd.edu/%7Ejbklauda/ff.html. trajCORRECT1-2.dcd has incorrect timestamps. traj1-2.xtc has correct timestamps.  dataset