Trajectory 846
Order parameters quality = N/A
| Computational methods | Simulation metadata |
|---|---|
| System | DPPE in TIP3(Water) at 342K |
| Author(s) | Avneesh Singh - ms23249@iisermohali.ac.in, Anubhav Ganguly - ms23237@iisermohali.ac.in, Prof. M. Miettinen Markus.Miettinen@uib.no |
| Date | 07/12/2025 |
| DOI | 10.5281/zenodo.15662847 |
| Publication | N/A |
| Force field | CHARMM36 |
| Simulation length (ps) | 100005 |
| Trajectory size | 196285320 |
| Pre-equilibration time | 100 |
| Time left out | 0 |
| Temperature (K) | 342 |
| Number of particles | 8119 |
| Software | gromacs |
| Ions | N/A |
| Water | TIP3 |
| Lipids - L1 | DPPE (17) |
| Lipids - L2 | DPPE (17) |
| 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
DPPE
- Quality total: N/A
- Quality headgroups: N/A
- Quality tails: N/A
Related experiments:
| Article DOI | Internal ID | Type | Temperature | Actions |
|---|
Order Parameters DPPE
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 :
5.2 nm
Area per lipid : 44.5 Å2
Area per lipid : 44.5 Å2