Trajectory 575
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | 128DOPS_4480SOL_128SOD_303K_v2 |
| Author(s) | Thomas Piggot |
| Date | 07/06/2022 |
| DOI | 10.5281/zenodo.1129456 |
| Publication | 10.1021/acs.jpcb.9b06091 |
| Force field | CHARMM36-UA |
| Simulation length (ps) | 100050 |
| Trajectory size | 166731208 |
| Pre-equilibration time | 400 |
| Time left out | 0 |
| Temperature (K) | 303 |
| Number of particles | 22400 |
| Software | gromacs |
| Ions | SOD(128) |
| Water | TIP3 |
| Lipids - L1 | DOPS (64) |
| Lipids - L2 | DOPS (64) |
| 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
DOPS
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters DOPS
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 :
4.6 nm
Area per lipid : 59.3 Å2
Area per lipid : 59.3 Å2