Gromos POPG Bilayer Simulation (Last 100 ns, 150 mM NaCl, 310 K )

Simulation of a POPG bilayer of 500 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-POPG-Tom_Piggot-v1 model wiht GROMOS57a7 is employed for lipids and the SCP model for water. 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), and the energy output file (.edr) are provided.

Related Organizations

Universidade Lusófona do Porto
Portugal

Keywords

Gromos-CKP, POPE, POPG bilayer, Gromos, Gromacs

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