Trajectory 340

Order parameters quality = N/A

Computational methods Simulation metadata
System 72POPS_3600SOL_72POT_298K_ECC-lipid
Author(s) Melcr, Josef
Date 20/01/2022
DOI 10.5281/zenodo.1488094
Publication N/A
Force field ECC-lipids, SPC water model, ECC-ions
Simulation length (ps) 955680
Trajectory size 3507463276
Pre-equilibration time 0
Time left out 0
Temperature (K) 298
Number of particles 20016
Software gromacs
Ions POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72), POT(72)
Water SOL
Lipids - L1 POPS (36)
Lipids - L2 POPS (36)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Lower leaflet

Lipids


POPS
  • 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

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 : 3.9 nm
Area per lipid : 66.4 Å2