Trajectory 38
Order parameters quality = 0.2904
| Computational methods | Simulation metadata |
|---|---|
| System | 72POPC_2880SOL_298K |
| Author(s) | Ollila, O. H. Samuli; Määttä, Jukka; Monticelli, Luca |
| Date | 16/06/2022 |
| DOI | 10.5281/zenodo.34488 |
| Publication | N/A |
| Force field | Orange |
| Simulation length (ps) | 50010 |
| Trajectory size | 224597804 |
| Pre-equilibration time | 10 |
| Time left out | 0 |
| Temperature (K) | 298 |
| Number of particles | 12384 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | POPC (36) |
| Lipids - L2 | POPC (36) |
| 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: 0.2904
- Quality headgroups: 0.0574
- Quality tails: 0.40685
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1021/acs.jctc.3c00648 | 10.1021/acs.jctc.3c00648/1 | FF | 300 | View |
| 10.1039/c2cp42738a | 10.1039/c2cp42738a/1 | OP | 298 | View |
| 10.1021/acs.jpcb.4c04719 | 10.1021/acs.jpcb.4c04719/4 | 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 :
0.2904
OP Quality of headgroups: 0.0574
OP Quality of tails: 0.4069
FF Quality: 0.255
OP Quality of headgroups: 0.0574
OP Quality of tails: 0.4069
FF Quality: 0.255
Bilayer thickness :
4.2 nm
Area per lipid : 63.7 Å2
Area per lipid : 63.7 Å2