Trajectory 307

Order parameters quality = 0.0002

Computational methods Simulation metadata
System POPC_T298K
Author(s) Javanainen, Matti
Date 21/12/2021
DOI 10.5281/zenodo.3613573
Publication N/A
Force field Slipids
Simulation length (ps) 500100
Trajectory size 1340011568
Pre-equilibration time 0
Time left out 100
Temperature (K) 298
Number of particles 71936
Software gromacs
Ions SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128), SOD(128)
Water SOL
Lipids - L1 POPC:POPG (64:64)
Lipids - L2 POPC:POPG (64:64)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPG
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
POPC
  • Quality total: 0.0033
  • Quality headgroups: 0.0033
  • Quality tails: N/A
Download Mapping File main

Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1002/j.1460-2075.1987.tb02595.x 10.1002/j.1460-2075.1987.tb02595.x/6 OP 298 View
10.1002/j.1460-2075.1987.tb02595.x 10.1002/j.1460-2075.1987.tb02595.x/5 OP 298 View

Order Parameters POPG

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 : 0.0002
OP Quality of headgroups: 0.0002
OP Quality of tails: 0
FF Quality: N/A

Bilayer thickness : 4.1 nm
Area per lipid : 61.5 Å2