Trajectory 591
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | POPC bilayer 303 K |
| Author(s) | Fredrik Grote (fredrik.grote@mmk.su.se), Alexander Lyubartsev (alexander.lyubartsev@mmk.su.se) |
| Date | 01/10/2021 |
| DOI | 10.5281/zenodo.4683633 |
| Publication | F. Grote and A. P. Lyubartsev, J. Phys. Chem. B 2020, 124, 8784-8793 |
| Force field | Slipids2020 |
| Simulation length (ps) | 268390 |
| Trajectory size | 3245715512 |
| Pre-equilibration time | 0 |
| Time left out | 100 |
| Temperature (K) | 303 |
| Number of particles | 32512 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | POPC (64) |
| Lipids - L2 | POPC (64) |
| 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: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1016/j.bbamem.2011.07.022 | 10.1016/j.bbamem.2011.07.022/2 | FF | 303 | 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 :
N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: 0.222
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: 0.222
Bilayer thickness :
4.2 nm
Area per lipid : 64.7 Å2
Area per lipid : 64.7 Å2