Trajectory 503

Order parameters quality = 0.0002

Computational methods Simulation metadata
System 150POPC_150POPG_31572SOL_150SOD_298K
Author(s) Virtanen, Salla; Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.3857816
Publication N/A
Force field Lipid17
Simulation length (ps) 200020
Trajectory size 4953124108
Pre-equilibration time 120
Time left out 0
Temperature (K) 298
Number of particles 134016
Software gromacs
Ions SOD(150)
Water SOL
Lipids - L1 POPC:POPG (76:75)
Lipids - L2 POPC:POPG (74:75)
Files View on GitHub main
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 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: 0.0037
  • Quality headgroups: 0.0037
  • 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

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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 : 4.2 nm
Area per lipid : 62.3 Å2