GROMOS-CKP POPC bilayer simulation at 298K (rvdw = 1.0 nm)
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Simulation 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.
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Zenodo创建时间：
2022-02-08
