Published December 2, 2015
| Version v1
Dataset
Open
MD simulation trajectory for POPC bilayer with 510mM NaCl (Orange, Gromacs 4.5.)
Authors/Creators
- 1. Aalto University
- 2. CNRS, Lyon
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Orange, 120ns, T=298K, 72 POPC molecules, 2802 water molecules, 26 Na molecules, 26 Cl molecules. This data is used in the NMRLipids II project (nmrlipids.blospot.fi, https://github.com/NMRLipids/lipid_ionINTERACTION).
The Orange model is unpublished lipid model developed by Luca Monticelli et al. http://perso.ibcp.fr/luca.monticelli/research/index.html. Beta version of the model is used here, thus only trajectory is shared.