Trajectory 606
Order parameters quality = 0.6434
| Computational methods | Simulation metadata |
|---|---|
| System | 288POPC_5760SOL_298K |
| Author(s) | Javanainen, Matti |
| Date | 17/01/2022 |
| DOI | 10.5281/zenodo.13498 |
| Publication | 10.1101/2020.11.09.374850; 10.1021/acs.jpcb.5b04878 |
| Force field | MacRog |
| Simulation length (ps) | 50010 |
| Trajectory size | 1034619540 |
| Pre-equilibration time | 50 |
| Time left out | 0 |
| Temperature (K) | 298 |
| Number of particles | 55872 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | POPC (143) |
| Lipids - L2 | POPC (145) |
| 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: 0.6434
- Quality headgroups: 0.6098
- Quality tails: 0.6602
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 :
0.6434
OP Quality of headgroups: 0.6098
OP Quality of tails: 0.6602
FF Quality: N/A
OP Quality of headgroups: 0.6098
OP Quality of tails: 0.6602
FF Quality: N/A
Bilayer thickness :
4 nm
Area per lipid : 66.5 Å2
Area per lipid : 66.5 Å2