Trajectory 910
Order parameters quality = 0.1556
| Computational methods | Simulation metadata |
|---|---|
| System | DMPC |
| Author(s) | Anna Kristine Sandtorv-Lerøen/anna.kristine.sandtorv.leroen@gmail.com / Markus S. Miettinen/Markus.Miettinen@uib.no |
| Date | 03/06/2026 |
| DOI | 10.5281/zenodo.20283378 |
| Publication | 10.1021/ja962951b |
| Force field | CHARMM36 |
| Simulation length (ps) | 100010 |
| Trajectory size | 318898344 |
| Pre-equilibration time | 1.875 |
| Time left out | 10 |
| Temperature (K) | 303.15 |
| Number of particles | 8800 |
| Software | gromacs |
| Ions | N/A |
| Water | TIP3 |
| Lipids - L1 | DMPC (20) |
| Lipids - L2 | DMPC (20) |
| 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
DMPC
- Quality total: 0.1556
- Quality headgroups: 0.1532
- Quality tails: 0.1581
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1016/j.bbamem.2011.07.022 | 10.1016/j.bbamem.2011.07.022/18 | FF | 303 | View |
| 10.1021/ja962951b | 10.1021/acs.jacs.ja962951b/1 | OP | 303 | View |
Order Parameters DMPC
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 :
0.1556
OP Quality of headgroups: 0.1532
OP Quality of tails: 0.0791
FF Quality: 0.571
OP Quality of headgroups: 0.1532
OP Quality of tails: 0.0791
FF Quality: 0.571
Bilayer thickness :
4.1 nm
Area per lipid : 59.3 Å2
Area per lipid : 59.3 Å2