Trajectory 207
Order parameters quality = 0.2318
| Computational methods | Simulation metadata |
|---|---|
| System | 288POPG_10664SOL_288SOD_298K |
| Author(s) | Favela-Rosales, Fernando |
| Date | 01/11/2021 |
| DOI | 10.5281/zenodo.546133 |
| Publication | N/A |
| Force field | Slipids |
| Simulation length (ps) | 50020 |
| Trajectory size | 642454772 |
| Pre-equilibration time | 200 |
| Time left out | 0 |
| Temperature (K) | 298 |
| Number of particles | 68856 |
| Software | gromacs |
| Ions | SOD(288) |
| Water | SOL |
| Lipids - L1 | POPG (144) |
| Lipids - L2 | POPG (144) |
| 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
POPG
- Quality total: 0.2318
- Quality headgroups: 0.116
- Quality tails: 0.28965
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| unpublished/ferreiraPOPG | unpublished/ferreiraPOPG/1 | OP | 298 | View |
| 10.5281/zenodo.4748647 | 10.1021/jacs.1c05549/1 | OP | 298 | View |
Order Parameters POPG
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 :
0.2318
OP Quality of headgroups: 0.116
OP Quality of tails: 0.2896
FF Quality: N/A
OP Quality of headgroups: 0.116
OP Quality of tails: 0.2896
FF Quality: N/A
Bilayer thickness :
3.8 nm
Area per lipid : 65.6 Å2
Area per lipid : 65.6 Å2