Trajectory 800
Order parameters quality = 0.66
| Computational methods | Simulation metadata |
|---|---|
| System | 200DMPC_1kSOL_300K |
| Author(s) | Milla Kurki |
| Date | 11/04/2024 |
| DOI | 10.5281/zenodo.10958132 |
| Publication | N/A |
| Force field | CHARMM36 |
| Simulation length (ps) | 350010 |
| Trajectory size | 3466218752 |
| Pre-equilibration time | 150 |
| Time left out | 0 |
| Temperature (K) | 314 |
| Number of particles | 26600 |
| Software | gromacs |
| Ions | N/A |
| Water | TIP3 |
| Lipids - L1 | DMPC (100) |
| Lipids - L2 | DMPC (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
DMPC
- Quality total: 0.66
- Quality headgroups: 0.6901
- Quality tails: 0.645
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1039/B508190D | 10.1039/B508190D/1 | OP | 314 | View |
Order Parameters DMPC
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 :
0.66
OP Quality of headgroups: 0.6901
OP Quality of tails: 0.645
FF Quality: N/A
OP Quality of headgroups: 0.6901
OP Quality of tails: 0.645
FF Quality: N/A
Bilayer thickness :
4.3 nm
Area per lipid : 52.9 Å2
Area per lipid : 52.9 Å2