Trajectory 248
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | 72POPC_2880SOL_310K_rmcomm_leaflets |
| Author(s) | Martinez-Seara, Hector |
| Date | 12/10/2021 |
| DOI | 10.5281/zenodo.1009607 |
| Publication | N/A |
| Force field | CHARMM36 (center of mass removed independently for upper leaflet, lower leaflet and water+ions) |
| Simulation length (ps) | 500100 |
| Trajectory size | 338098544 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 310 |
| Number of particles | 18288 |
| Software | gromacs |
| Ions | N/A |
| Water | SOL |
| Lipids - L1 | POPC (36) |
| Lipids - L2 | POPC (36) |
| 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 : 65 Å2
Area per lipid : 65 Å2