Trajectory 947
Order parameters quality = 0.6583
| Computational methods | Simulation metadata |
|---|---|
| System | DPPC_200_SOL_9000_CHARMM36_LO_321K |
| Author(s) | Ricky Nencini |
| Date | 2026-09-23 |
| DOI | 10.5281/zenodo.10635496 |
| Publication | N/A |
| Force field | prosECCo75 paper related MD Simulation |
| Simulation length (ps) | 1000100 |
| Trajectory size | 1956121976 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 321 |
| 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: 0.6583
- Quality headgroups: 0.6583
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|---|---|---|---|
| 10.1016/j.bbamem.2011.07.022 | 10.1016/j.bbamem.2011.07.022/4 | FF | 323 | View |
| 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 :
0.6583
OP Quality of headgroups: 0.6583
OP Quality of tails: 0
FF Quality: 0.3944
OP Quality of headgroups: 0.6583
OP Quality of tails: 0
FF Quality: 0.3944
Bilayer thickness :
4.4 nm
Area per lipid : 59.9 Å2
Area per lipid : 59.9 Å2