Trajectory 495

Order parameters quality = N/A

Computational methods Simulation metadata
System 110POPC_22POPS_4620SOL_22SOD_298K_GROMOS-CKP_v2
Author(s) Thomas Piggot
Date 20/01/2022
DOI 10.5281/zenodo.1283331
Publication N/A
Force field GROMOS-CKP, Berger/Chiu NH3 charges and PME
Simulation length (ps) 100050
Trajectory size 154933476
Pre-equilibration time 400
Time left out 0
Temperature (K) 298
Number of particles 20812
Software gromacs
Ions SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22), SOD(22)
Water SOL
Lipids - L1 POPC:POPS (55:11)
Lipids - L2 POPC:POPS (55:11)
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 : 4.6 nm
Area per lipid : 58.1 Å2