Trajectory 924
Order parameters quality = 0.5646
| Computational methods | Simulation metadata |
|---|---|
| System | Development of PROSECCO PC membranes |
| Author(s) | Ricky Nencini |
| Date | 08/09/2026 |
| DOI | 10.5281/zenodo.3332640 |
| Publication | https://doi.org/10.1021/acs.jctc.4c00743 |
| Force field | CHARMM36_charge075_onP_and_on_N |
| Simulation length (ps) | 404400 |
| Trajectory size | 791222992 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 320 |
| Number of particles | 53000 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | DPPC (100) |
| Lipids - L2 | DPPC (100) |
| Files |
View on GitHub main Link to simulation files |
Hover over a component to view composition data.
Upper leaflet
Lower leaflet
Lipids
DPPC
- Quality total: 0.5646
- Quality headgroups: 0.5646
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1021/bi00687a021 | 10.1021/bi00687a021/1 | OP | 322 | View |
Order Parameters DPPC
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 :
0.5646
OP Quality of headgroups: 0.5646
OP Quality of tails: 0
FF Quality: N/A
OP Quality of headgroups: 0.5646
OP Quality of tails: 0
FF Quality: N/A
Bilayer thickness :
5.1 nm
Area per lipid : 49.3 Å2
Area per lipid : 49.3 Å2