Trajectory 365
Order parameters quality = 0.0589
| Computational methods | Simulation metadata |
|---|---|
| System | 128DPPC_5841SOL_323K |
| Author(s) | Fuchs, Patrick F.J. |
| Date | 24/05/2022 |
| DOI | 10.5281/zenodo.14594 |
| Publication | 10.1021/acs.jpcb.5b04878 |
| Force field | Poger GROMOS 53A6_L |
| Simulation length (ps) | 100050.00763321 |
| Trajectory size | 174430560 |
| Pre-equilibration time | 0 |
| Time left out | 50 |
| Temperature (K) | 323 |
| Number of particles | 23923 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | DPPC (40) |
| Lipids - L2 | DPPC (88) |
| 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
DPPC
- Quality total: 0.0589
- Quality headgroups: 0.0589
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1016/j.bbamem.2011.07.022 | 10.1016/j.bbamem.2011.07.022/4 | FF | 323 | View |
| 10.1021/bi00687a021 | 10.1021/bi00687a021/1 | OP | 322 | View |
Order Parameters DPPC
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 :
0.0589
OP Quality of headgroups: 0.0589
OP Quality of tails: 0
FF Quality: 0.9644
OP Quality of headgroups: 0.0589
OP Quality of tails: 0
FF Quality: 0.9644
Bilayer thickness :
4.2 nm
Area per lipid : 60 Å2
Area per lipid : 60 Å2