Trajectory 585

Order parameters quality = N/A

Computational methods Simulation metadata
System 150POPC_150POPG_31401SOL_57CAL_114CLA_150SOD_298K
Author(s) Virtanen, Salla; Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.3871590
Publication N/A
Force field Lipid17
Simulation length (ps) 198020
Trajectory size 4894031676
Pre-equilibration time 520
Time left out 0
Temperature (K) 298
Number of particles 133674
Software gromacs
Ions CAL(57), CLA(114), SOD(150)
Water SOL
Lipids - L1 POPC:POPG (75:77)
Lipids - L2 POPC:POPG (75:73)
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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: 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 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 : N/A
OP Quality of headgroups: N/A
OP Quality of tails: N/A
FF Quality: N/A

Bilayer thickness : 4.5 nm
Area per lipid : 57.4 Å2