Published March 17, 2022 | Version v1

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)