Trajectory 815
Order parameters quality = 0.8112
| Computational methods | Simulation metadata |
|---|---|
| System | 200POPC_4kSOL_300K |
| Author(s) | Milla Kurki |
| Date | 05/07/2024 |
| DOI | 10.5281/zenodo.10183802 |
| Publication | 10.1021/acs.jcim.2c00395 |
| Force field | OPLS3e |
| Simulation length (ps) | 489870 |
| Trajectory size | 7189302672 |
| Pre-equilibration time | 10 |
| Time left out | 100 |
| Temperature (K) | 300 |
| Number of particles | 38800 |
| 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: 0.8112
- Quality headgroups: 0.6996
- Quality tails: 0.86695
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1021/acs.jpcb.4c04719 | 10.1021/acs.jpcb.4c04719/5 | 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 :
0.8112
OP Quality of headgroups: 0.6996
OP Quality of tails: 0.867
FF Quality: N/A
OP Quality of headgroups: 0.6996
OP Quality of tails: 0.867
FF Quality: N/A
Bilayer thickness :
4.1 nm
Area per lipid : 66.4 Å2
Area per lipid : 66.4 Å2