Gromos POPG Bilayer Simulation (Last 100 ns, 150 mM NaCl, 310 K )
| Main Author: | PEÓN, Antonio |
|---|---|
| Format: | Article |
| Terbitan: |
, 2019
|
| Subjects: | |
| Online Access: |
https://zenodo.org/record/3257649 |
Daftar Isi:
- 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.