Published February 25, 2019 | Version v2
Journal article Open

LIPID17 POPE Bilayer Simulation (Last 100 ns, 150 mM NaCl, 310 K ) using dihedral 9

  • 1. Universtiy of Porto

Description

simulation of a POPE bilayer of 500 lipids (250 per leaflet) is simulated for 500 ns using Gromacs v2020.1 in water solution with Na+ counterions and 150 mM of NaCl. The LIPID17 model (1), AMBER  ff15ipq and TIP3P water model are employed.

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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(1) Gould, I.R., Skjevik A.A., Dickson, C.J., Madej, B.D., Walker, R.C.,
 "Lipid17: A Comprehensive AMBER Force Field for the Simulation of Zwitterionic and Anionic Lipids", 2018, in prep.

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