Trajectory 470

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC:POPG(1:1)_T298K_1000mM_CaCl
Author(s) Ollila, O. H. Samuli; Virtanen, I. Salla
Date 05/10/2021
DOI 10.5281/zenodo.3862036
Publication N/A
Force field lipid17ecc
Simulation length (ps) 400020
Trajectory size 9709091500
Pre-equilibration time 200
Time left out 0
Temperature (K) 298
Number of particles 130602
Software gromacs
Ions CLA(1138), CAL(569), SOD(150)
Water SOL
Lipids - L1 POPG:POPC (76:75)
Lipids - L2 POPG:POPC (74:75)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPG
  • 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 POPG

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

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 : 4.6 nm
Area per lipid : 54.7 Å2