Trajectory 409
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | 256DPPC_42642SOL_288K |
| Author(s) | Walter, Vivien; Ruscher, Celine; Gola, Adrien; Marques, Carlos; Benzerara, Olivier; Thalmann, Fabrice |
| Date | 23/10/2021 |
| DOI | 10.5281/zenodo.4522359 |
| Publication | 10.1016/j.bbamem.2021.183714 |
| Force field | CHARMM36 |
| Simulation length (ps) | 50005 |
| Trajectory size | 5967921544 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 288 |
| Number of particles | 161206 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | DPPC (128) |
| Lipids - L2 | DPPC (128) |
| Files |
View on GitHub main Download PDB File Link to simulation files |
Hover over a component to view composition data.
Upper leaflet
Lower leaflet
Lipids
DPPC
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters DPPC
Download JSON mainGroup sn-1
Group sn-2
Group headgroup
Group glycerol backbone
Area per lipid
Form Factor
Experimental and Molecular Dynamics based descriptors
Quality of Order Parameters :
N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A
Bilayer thickness :
4.8 nm
Area per lipid : 51.5 Å2
Area per lipid : 51.5 Å2