Trajectory 824
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | TOCL_66_Na_Cl_T303_40w/P |
| Author(s) | Nesterenko Alexey |
| Date | 16/10/2024 |
| DOI | 10.5281/zenodo.13933145 |
| Publication | N/A |
| Force field | Charmm36 |
| Simulation length (ps) | 500100 |
| Trajectory size | 3884816808 |
| Pre-equilibration time | 100 |
| Time left out | 0 |
| Temperature (K) | 303.15 |
| Number of particles | 32362 |
| Software | gromacs |
| Ions | SOD(143), CLA(11) |
| Water | TIP3 |
| Lipids - L1 | TOCL (33) |
| Lipids - L2 | TOCL (33) |
| 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
TOCL
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters TOCL
Download JSON mainGroup sn-1 1
Group sn-1 2
Group sn-2 1
Group sn-2 2
Group headgroup
Group glycerol backbone 1
Group glycerol backbone 2
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 nm
Area per lipid : 127.8 Å2
Area per lipid : 127.8 Å2