Trajectory 795
Order parameters quality = 0.3275
| Computational methods | Simulation metadata |
|---|---|
| System | POPС(300K, 5w/l, CHARMM36) |
| Author(s) | Milla Kurki (Lindström) |
| Date | 03/04/2024 |
| DOI | 10.5281/zenodo.6333548 |
| Publication | N/A |
| Force field | Charmm36 |
| Simulation length (ps) | 650010 |
| Trajectory size | 7174410580 |
| Pre-equilibration time | 350 |
| Time left out | 0 |
| Temperature (K) | 300 |
| Number of particles | 29800 |
| Software | gromacs |
| Ions | N/A |
| Water | TIP3 |
| 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: 0.3275
- Quality headgroups: 0.6263
- Quality tails: 0.17805
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 :
0.3275
OP Quality of headgroups: 0.6263
OP Quality of tails: 0.178
FF Quality: N/A
OP Quality of headgroups: 0.6263
OP Quality of tails: 0.178
FF Quality: N/A
Bilayer thickness :
4.7 nm
Area per lipid : 54.1 Å2
Area per lipid : 54.1 Å2