Trajectory 877
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | POPC, 44 w/l, 300 K, 0.1 M NaCl |
| Author(s) | Kurki, Milla |
| Date | 06/01/2026 |
| DOI | 10.5281/zenodo.6342104 |
| Publication | 10.1021/acs.jcim.2c00395 |
| Force field | CHARMM36 |
| Simulation length (ps) | 475010 |
| Trajectory size | 9345381312 |
| Pre-equilibration time | 25 |
| Time left out | 0 |
| Temperature (K) | 300 |
| Number of particles | 53472 |
| Software | gromacs |
| Ions | CLA(16), SOD(16) |
| Water | TIP3 |
| Lipids - L1 | POPC (100) |
| Lipids - L2 | POPC (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
POPC
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
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 :
N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A
Bilayer thickness :
4.2 nm
Area per lipid : 63.8 Å2
Area per lipid : 63.8 Å2