Trajectory 919
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | Fully hydrated DLPC bilayer in SPC/E water (LJ-PME) |
| Author(s) | Matej Kanduc |
| Date | 02/08/2026 |
| DOI | 10.5281/zenodo.20579050 |
| Publication | N/A |
| Force field | CHARMM36/LJ-PME |
| Simulation length (ps) | 100010 |
| Trajectory size | 855693500 |
| Pre-equilibration time | 0 |
| Time left out | 20 |
| Temperature (K) | 333 |
| Number of particles | 23542 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | DLPC (50) |
| Lipids - L2 | DLPC (50) |
| Files |
View on GitHub main Link to simulation files |
Hover over a component to view composition data.
Upper leaflet
Lower leaflet
Lipids
DLPC
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1016/j.bbamem.2011.07.022 | 10.1016/j.bbamem.2011.07.022/9 | FF | 333 | View |
Order Parameters DLPC
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: 0.0667
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: 0.0667
Bilayer thickness :
3.6 nm
Area per lipid : 61.2 Å2
Area per lipid : 61.2 Å2