Published February 28, 2019 | Version v1
Journal article Open

GROMOS-CKP POPG-POPE 3:1 Bilayer Simulation (Last 100 ns, 150 mM NaCl, 310 K )

Authors/Creators

  • 1. University of Porto

Description

Simulation of a POPG-POPE 3:1 bilayer of 500 lipids (374 L-POPG lipids and 126 POPE lipids, 250 per leaflet) is simulated for 500 ns using Gromacs v5.1.2 in water solution with Na+ counterions and 150 mM of NaCl. The GROMOS-CKP model is employed for lipids with SCP 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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