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), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), SOD(150), 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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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

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 : 4.2 nm
Area per lipid : 62.3 Å2