Trajectory 354
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | 90POPC_38PAzePCdeprot_7250SOL_38POT_298K |
| Author(s) | Ollila, Samuli; Khandelia, Himanshu |
| Date | 12/04/2022 |
| DOI | 10.5281/zenodo.44622 |
| Publication | 10.1021/acs.langmuir.6b00788 |
| Force field | Berger |
| Simulation length (ps) | 60020 |
| Trajectory size | 2029852392 |
| Pre-equilibration time | 60 |
| Time left out | 0 |
| Temperature (K) | 298 |
| Number of particles | 28178 |
| Software | gromacs |
| Ions | POT(38) |
| Water | SOL |
| Lipids - L1 | POPC:PAzePCdeprot (45:19) |
| Lipids - L2 | POPC:PAzePCdeprot (45:19) |
| 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
PAzePCdeprot
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
POPC
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters PAzePCdeprot
Download JSON mainGroup sn-1
Group sn-2
Group headgroup
Group glycerol backbone
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 :
3.9 nm
Area per lipid : 64.3 Å2
Area per lipid : 64.3 Å2