Trajectory 845
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | POPC_113mM_CaCl_CHARMM36 |
| Author(s) | Nencini, Ricky |
| Date | 15/11/2025 |
| DOI | 10.5281/zenodo.10464946 |
| Publication | https://doi.org/10.1021/acs.jctc.4c00743 |
| Force field | CHARMM36 |
| Simulation length (ps) | 1000100 |
| Trajectory size | 1992726352 |
| Pre-equilibration time | 0 |
| Time left out | 0 |
| Temperature (K) | 310 |
| Number of particles | 53854 |
| Software | gromacs |
| Ions | CAL(18), CLA(36) |
| Water | SOL |
| Lipids - L1 | POPC (100) |
| Lipids - L2 | POPC (100) |
| 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 :
4.2 nm
Area per lipid : 64.7 Å2
Area per lipid : 64.7 Å2