Published February 27, 2019 | Version v2
Journal article Open

LIPID17 POPG-POPE 1:3 Bilayer Simulation (Last 100 ns, 150 mM NaCl, 310 K )

Authors/Creators

  • 1. University of Porto

Description

Simulation of a POPG-POPE 1:3 bilayer of 500 lipids (126 L-POPG lipids and 374 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 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.

-------

(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.

Files

Files (5.2 GB)

Name Size Download all
md5:afa47a88488217bf644cd6d59cb08e8a
37.1 MB Download
md5:c4a41123ced798f92ff489b13599459e
139.9 kB Download
md5:25b628d6a1b3e6b8ece8e267e02e0d68
5.2 MB Download
md5:c3bdbb666f0f064415f39600015f1f69
5.2 GB Download
md5:eb5ec48851dd29d03b2a529dfbdd37c0
3.9 MB Download
md5:da007e72939702aebabf7b7e17e50133
33.0 MB Download