Trajectory 478

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_6400SOL_54CAL_108CLA_313K_OPC3model
Author(s) Melcr, Josef
Date 10/03/2022
DOI 10.5281/zenodo.1118980
Publication N/A
Force field ECC-lipids
Simulation length (ps) 100020
Trajectory size 676812392
Pre-equilibration time 0
Time left out 0
Temperature (K) 313
Number of particles 36514
Software gromacs
Ions CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108), CAL(54), CLA(108)
Water SOL
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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


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 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 : 62.7 Å2