Trajectory 217

Order parameters quality = N/A

Computational methods Simulation metadata
System 350POPC_88POPG_26124SOL_47CAL_94CLA_88SOD_298K
Author(s) Virtanen, Salla; Ollila, O. H. Samuli
Date 03/01/2022
DOI 10.5281/zenodo.3833725
Publication N/A
Force field Lipid17
Simulation length (ps) 250020
Trajectory size 6330544004
Pre-equilibration time 150
Time left out 0
Temperature (K) 298
Number of particles 136677
Software gromacs
Ions CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88), CAL(47), CLA(94), SOD(88)
Water SOL
Lipids - L1 POPC:POPG (175:44)
Lipids - L2 POPC:POPG (175:44)
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: 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 : 4.3 nm
Area per lipid : 61.6 Å2