Published July 12, 2022 | Version v1
Dataset Open

MD simulation trajectory of POPE/DOG/CHOL bilayer and related files

Authors/Creators

  • 1. University of Helsinki

Description

Simulation trajectory pre-equiblirated POPE/DOG/CHOL bilayer and related files from all-atom molecular dynamics simulations. Simulations have been performed with GROMACS-2018.7 with Lipid17 forcefield and TIP3P water model. The trajectory is 0-1000 ns, and we have disregarded the first 100 ns in our analysis.

The system in the trajectory consists of 74 POPE, 12 DOG, 42 CHOL and 6400 water molecules. Temperature 310 K, pressure 1 bar.

Publication: https://doi.org/10.1016/j.bbamem.2022.183961

Files

Files (6.9 GB)

Name Size
md5:d3707eb27e9bf07d4588b59c5bccb0aa
683.5 MB Download
md5:7a198e1a0b5a05c9cdefc190dff00aaf
74.7 MB Download
md5:2b7dea58f426b117d35d86f4ee7d720b
1.0 MB Download
md5:d27474bb389b2d39db3315755cf9436a
6.1 GB Download