Trajectory 765
Order parameters quality = 0.3412
| Computational methods | Simulation metadata |
|---|---|
| System | PSM NAMD |
| Author(s) | Milka Doktorova |
| Date | 13/09/2023 |
| DOI | 10.5281/zenodo.8338253 |
| Publication | Doktorova et al. 2020 J. Phys. Chem. B. article (DOI 10.1021/acs.jpcb.0c03389) |
| Force field | CHARMM36 |
| Simulation length (ps) | 287.16934554 |
| Trajectory size | 3694041396 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 328.15 |
| Number of particles | 52400 |
| Software | NAMD |
| Ions | N/A |
| Water | TIP3 |
| Lipids - L1 | SM16 (100) |
| Lipids - L2 | SM16 (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
SM16
- Quality total: 0.3412
- Quality headgroups: N/A
- Quality tails: 0.3412
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1021/acs.jpcb.0c03389 | 10.1021/acs.jpcb.0c03389/2 | FF | 328 | View |
| 10.1021/acs.jpcb.0c03389 | 10.1021/acs.jpcb.0c03389/3 | OP | 328 | View |
Area per lipid
Form Factor
Experimental and Molecular Dynamics based descriptors
Quality of Order Parameters :
0.3412
OP Quality of headgroups: 0
OP Quality of tails: 0.1706
FF Quality: 1.7746
OP Quality of headgroups: 0
OP Quality of tails: 0.1706
FF Quality: 1.7746
Bilayer thickness :
4.5 nm
Area per lipid : 56.2 Å2
Area per lipid : 56.2 Å2