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), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), CLA(1138), CAL(569), SOD(150), 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
Hover over a component to view composition data.
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