Trajectory 741
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | DOPC_450mM_CaCl2_at_303K_with_AMOEBA |
| Author(s) | Kav, Batuhan |
| Date | 08/02/2023 |
| DOI | 10.5281/zenodo.7604842 |
| Publication | N/A |
| Force field | AMOEBA |
| Simulation length (ps) | 218400 |
| Trajectory size | 1493479544 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 303 |
| Number of particles | 18624 |
| Software | openMM |
| Ions | CAL(16), CLA(32) |
| Water | HOH |
| Lipids - L1 | DOPC (36) |
| Lipids - L2 | DOPC (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
DOPC
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters DOPC
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 : 69.8 Å2
Area per lipid : 69.8 Å2