Published June 6, 2019 | Version v1
Journal article Open

LIPID17 POPC-POPG 7:3 Bilayer Simulation (Last 100 ns, 310 K )

  • 1. U. of Porto

Description

Simulation of a POPC-POPG 7:3 bilayer of 500 lipids (350 POPC lipids and 150 L-POPG lipids, 250 per leaflet) is simulated for 500 ns using Gromacs v2018.3 in water solution with Na+ counterions. The LIPID17 model is employed for lipids with TIP3P Water Model.

Trajectory (.xtc) is for the last 100 ns of a simulation of 500 ns with data saved every 10 ps. Additionally, the topology (.top) , simulation parameter file (.mdp), index file (.ndx),  portable binary run input file (.tpr) and the energy output file (.edr) are provided.

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