Trajectory 290

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_128POPE_11096SOL_300K_Berger
Author(s) Bacle Amélie; Fuchs Patrick F.J.
Date 16/03/2022
DOI 10.5281/zenodo.1402449
Publication N/A
Force field Berger (modified to add a repulsive potential onto the ethanolamine hydrogens)
Simulation length (ps) 400100
Trajectory size 686422896
Pre-equilibration time 0
Time left out 100
Temperature (K) 300
Number of particles 46600
Software gromacs
Ions N/A
Water SOL
Lipids - L1 POPC:POPE (64:64)
Lipids - L2 POPC:POPE (64:64)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


POPE
  • 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 POPE

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

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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 : 4.1 nm
Area per lipid : 64.8 Å2