Trajectory 551
Order parameters quality = 0.5898
| Computational methods | Simulation metadata |
|---|---|
| System | 256DOPC_12800SOL_303K |
| Author(s) | Javanainen, Matti |
| Date | 16/08/2022 |
| DOI | 10.5281/zenodo.6943086 |
| Publication | N/A |
| Force field | CHARMM36 |
| Simulation length (ps) | 1001000 |
| Trajectory size | 271793404 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 303.15 |
| Number of particles | 73728 |
| Software | gromacs |
| Ions | N/A |
| Water | TIP3 |
| Lipids - L1 | DOPC (128) |
| Lipids - L2 | DOPC (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
DOPC
- Quality total: 0.5898
- Quality headgroups: 0.6381
- Quality tails: 0.56565
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1529/biophysj.108.132662 | 10.1529/biophysj.108.132662/1 | FF | 303 | View |
| unpublished/ferreiraDOPC | unpublished/ferreiraDOPC/1 | OP | 303 | View |
Order Parameters DOPC
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 :
0.5898
OP Quality of headgroups: 0.6381
OP Quality of tails: 0.5656
FF Quality: 1.33
OP Quality of headgroups: 0.6381
OP Quality of tails: 0.5656
FF Quality: 1.33
Bilayer thickness :
4.1 nm
Area per lipid : 68.1 Å2
Area per lipid : 68.1 Å2