Trajectory 403

Order parameters quality = N/A

Computational methods Simulation metadata
System 84POPC_4800SOL_36CHOL_303K
Author(s) Melcr, Josef
Date 01/10/2021
DOI 10.5281/zenodo.163336
Publication N/A
Force field CHARMM36
Simulation length (ps) 200010
Trajectory size 2068200172
Pre-equilibration time 0
Time left out 100
Temperature (K) 303.15
Number of particles 28320
Software gromacs
Ions N/A
Water TIP3
Lipids - L1 CHOL:POPC (18:42)
Lipids - L2 CHOL:POPC (18:42)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


CHOL
  • 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 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 : 4.9 nm
Area per lipid : 46.7 Å2