Trajectory 773

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_298K
Author(s) Fabio Lolicato
Date 25/09/2023
DOI 10.5281/zenodo.8370414
Publication doi.org/10.1083/jcb.202106123
Force field CHARMM36m
Simulation length (ps) 1203200
Trajectory size 3580151524
Pre-equilibration time 0
Time left out 200
Temperature (K) 298.15
Number of particles 80791
Software gromacs
Ions POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35), POT(35), CLA(35)
Water TIP3
Lipids - L1 POPC (150)
Lipids - L2 POPC (150)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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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 : 63.5 Å2