Trajectory 780

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_134_SAPI25_16_CHOL_150_KCl_150mM_298.15K
Author(s) Fabio Lolicato
Date 05/10/2023
DOI 10.5281/zenodo.8370445
Publication doi.org/10.1083/jcb.202106123
Force field CHARMM36m
Simulation length (ps) 1244700
Trajectory size 2923322416
Pre-equilibration time 0
Time left out 200
Temperature (K) 298.15
Number of particles 63685
Software gromacs
Ions POT(92), CLA(28)
Water TIP3
Lipids - L1 POPC:CHOL:SAPI25 (67:75:8)
Lipids - L2 POPC:CHOL:SAPI25 (67:75:8)
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


CHOL
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SAPI25
  • 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 CHOL

Download JSON main

Group tail

Order Parameters SAPI25

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Group tail

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 : 4.8 nm
Area per lipid : 41.8 Å2