Trajectory 737
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | 128POPC_6400SOL_41CaCl2_303K |
| Author(s) | Kav, Batuhan |
| Date | 08/02/2023 |
| DOI | 10.5281/zenodo.7600827 |
| Publication | N/A |
| Force field | Charmm-Drude polarizable; system has been equilibriated using Charmm36 |
| Simulation length (ps) | 513320 |
| Trajectory size | 18237291768 |
| Pre-equilibration time | 100 |
| Time left out | 100 |
| Temperature (K) | 303 |
| Number of particles | 57078 |
| Software | openMM |
| Ions | CAL(41), CLA(82) |
| Water | SWM4 |
| Lipids - L1 | POPC (64) |
| Lipids - L2 | POPC (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
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 :
4.1 nm
Area per lipid : 64.1 Å2
Area per lipid : 64.1 Å2