MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 2
Authors/Creators
Description
MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 2 (500-1000ns)
Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory, topology (-out.cms), and other files.
For the ease of the upload, trajectory files (_trj) are divided to 100ns pieces and tarred (named desmond_md_nacl1000_x-xns.tar.gz)
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Salt: NaCl
Concentration: 1000 mM
Number of cations: 160
Simulation time: 1000 ns (in this dataset 500-1000ns)
Simulation engine: Desmond 2019-4
Temperature: 300 K
Related dataset: MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 1
Files
Files
(29.9 GB)
| Name | Size | |
|---|---|---|
|
md5:ab1685693c45f1e283bb59de7e95c3aa
|
8.1 kB | Download |
|
md5:cf5917005c5f4bec7c8bc3025366a6d1
|
15.6 MB | Download |
|
md5:ed1b716ed35b8d40283911f974893dae
|
23.3 MB | Download |
|
md5:102ac3f377ebf48d8778664f14cb9add
|
68.3 MB | Download |
|
md5:a739bac278ce5d30b1c2ac5480ee5cd8
|
6.0 GB | Download |
|
md5:6c21f4f45d357ee23c058fe10fd50fba
|
6.0 GB | Download |
|
md5:84f4a3a4c78ecb864529bbffb9497ca7
|
6.0 GB | Download |
|
md5:e7ce91499259f6f7f885596a5feb79a1
|
6.0 GB | Download |
|
md5:cbba6d6a4cf619258dfdf53bac8b76b0
|
15.6 MB | Download |
|
md5:d693ae41995879dc34138d16e27bd7e6
|
5.9 GB | Download |
Additional details
Related works
- Compiles
- Preprint: 10.26434/chemrxiv-2022-m89bg (DOI)