Trajectory 471

Order parameters quality = N/A

Computational methods Simulation metadata
System 110POPC_22POPS_4620SOL_22SOD_298K_GROMOS-CKP_v1
Author(s) Thomas Piggot
Date 20/01/2022
DOI 10.5281/zenodo.1283333
Publication N/A
Force field GROMOS-CKP, GROMOS NH3 charges and PME
Simulation length (ps) 100050
Trajectory size 154990312
Pre-equilibration time 400
Time left out 0
Temperature (K) 298
Number of particles 20812
Software gromacs
Ions 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 : 57.8 Å2