Trajectory 531

Order parameters quality = N/A

Computational methods Simulation metadata
System 12POPS_60POPC_3561SOL_5CAL_10CLA_12SOD_298K
Author(s) Melcr, Josef
Date 31/01/2022
DOI 10.5281/zenodo.1488102
Publication N/A
Force field ECC-lipids, SPC/E water model, ECC-ions
Simulation length (ps) 999520
Trajectory size 3714706464
Pre-equilibration time 0
Time left out 0
Temperature (K) 298
Number of particles 20274
Software gromacs
Ions CAL(5), CLA(10), SOD(12)
Water SOL
Lipids - L1 POPS:POPC (6:30)
Lipids - L2 POPS:POPC (6:30)
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


POPS
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions

Order Parameters POPS

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

Download JSON main

Group 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

Bilayer thickness : 4.2 nm
Area per lipid : 61.4 Å2