Trajectory 796
Order parameters quality = 0.7709
| Computational methods | Simulation metadata |
|---|---|
| System | POPС(300K, 5w/l, OPLS3e) |
| Author(s) | Milla Kurki (Lindström) |
| Date | 03/04/2024 |
| DOI | 10.5281/zenodo.10184229 |
| Publication | N/A |
| Force field | OPLS3e |
| Simulation length (ps) | 599670 |
| Trajectory size | 6843695440 |
| Pre-equilibration time | 400 |
| Time left out | 0 |
| Temperature (K) | 300 |
| Number of particles | 29800 |
| Software | gromacs |
| Ions | N/A |
| Water | SPC |
| Lipids - L1 | POPC (100) |
| Lipids - L2 | POPC (100) |
| 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
POPC
- Quality total: 0.7709
- Quality headgroups: 0.7478
- Quality tails: 0.78235
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1021/acs.jpcb.4c04719 | 10.1021/acs.jpcb.4c04719/1 | OP | 298 | View |
Order Parameters POPC
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 :
0.7709
OP Quality of headgroups: 0.7478
OP Quality of tails: 0.7824
FF Quality: N/A
OP Quality of headgroups: 0.7478
OP Quality of tails: 0.7824
FF Quality: N/A
Bilayer thickness :
4.6 nm
Area per lipid : 55.6 Å2
Area per lipid : 55.6 Å2