Trajectory 314

Order parameters quality = N/A

Computational methods Simulation metadata
System 12POPS_60POPC_3483SOL_51SOD_39CLA_298K
Author(s) Melcr, Josef
Date 13/01/2022
DOI 10.5281/zenodo.1487906
Publication N/A
Force field Lipid17 and ff99 ions
Simulation length (ps) 652200
Trajectory size 2396290836
Pre-equilibration time 0
Time left out 0
Temperature (K) 298
Number of particles 20103
Software gromacs
Ions SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39), SOD(51), CLA(39)
Water SOL
Lipids - L1 POPS:POPC (6:30)
Lipids - L2 POPS:POPC (6:30)
Files View on GitHub main
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 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 : 4.3 nm
Area per lipid : 62.6 Å2