Trajectory 621

Order parameters quality = N/A

Computational methods Simulation metadata
System 102POPC_26POPS_4290SOL_106SOD_80CLA_310K_Berger
Author(s) Cwiklik Lukasz
Date 24/03/2022
DOI 10.5281/zenodo.838219
Publication 10.1016/j.bbamem.2011.11.033
Force field Berger
Simulation length (ps) 50020
Trajectory size 182039148
Pre-equilibration time 150
Time left out 0
Temperature (K) 310
Number of particles 19790
Software gromacs
Ions SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80), SOD(106), CLA(80)
Water SOL
Lipids - L1 POPC:POPS (51:13)
Lipids - L2 POPC:POPS (51:13)
Files View on GitHub main
 Download PDB File
 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


POPS
  • 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 POPS

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 : 4.9 nm
Area per lipid : 54.6 Å2