GROMOS-CKP POPC bilayer simulation at 298K (rvdw = 1.0 nm)

dc.contributor.affiliationUniversity of Helsinki-Ollila, O. H. Samuli
dc.contributor.authorOllila, O. H. Samuli
dc.date.accessioned2025-04-29T14:01:06Z
dc.date.issued2022-02-07
dc.date.issued2022-02-07
dc.descriptionSimulation of a POPC bilayer of 500 lipids (250 per leaflet) is simulated for 500 ns using Gromacs at 298 K. The GROMOS-CKP model is employed for lipids and SPC for water. Simulation is identical to https://doi.org/10.5281/zenodo.3247434 with the exception of the temperature. Force field files are from https://lipidbook.org/. NOTE: This is run with 1.0 nm cut-off even though 1.4 nm should be used with GROMOS-CKP Trajectory (.xtc) is for the last 350 ns of a simulation of 500 ns with data saved every 10 ps.
dc.identifierhttps://doi.org/10.5281/zenodo.5997385
dc.identifier.urihttps://datakatalogi.helsinki.fi/handle/123456789/4726
dc.rights.licensecc-by-4.0
dc.titleGROMOS-CKP POPC bilayer simulation at 298K (rvdw = 1.0 nm)
dc.typedataset
Zenodo


: