Trajectory 768
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | POPC_POPE_POPS_SM_CHOL_GM1_CaCl2 |
| Author(s) | Anusha Lalitha |
| Date | 21/09/2023 |
| DOI | 10.5281/zenodo.8331805 |
| Publication | N/A |
| Force field | Charmm36 |
| Simulation length (ps) | 300100 |
| Trajectory size | 11454768984 |
| Pre-equilibration time | 2 |
| Time left out | 0 |
| Temperature (K) | 300 |
| Number of particles | 106024 |
| Software | gromacs |
| Ions | CAL(73), CLA(110), CAL(73), CLA(110) |
| Water | TIP3 |
| Lipids - L1 | POPE:POPC:POPS:CHOL:SM16:GM1 (48:76:10:40:18:8) |
| Lipids - L2 | POPE:POPC:POPS:CHOL:SM16:GM1 (48:76:10:40:18:8) |
| 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
SM16
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
POPE
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
GM1
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
CHOL
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
POPS
- 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
Order Parameters POPE
Download JSON mainGroup sn-1
Group sn-2
Group headgroup
Group glycerol backbone
Order Parameters POPS
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 :
5 nm
Area per lipid : 51.7 Å2
Area per lipid : 51.7 Å2