Trajectory 131

Order parameters quality = N/A

Computational methods Simulation metadata
System 128DOPC_128DOPE_11096SOL_300K
Author(s) Bacle Amélie; Fuchs Patrick F.J.
Date 12/04/2022
DOI 10.5281/zenodo.1402437
Publication N/A
Force field Berger (modified to add a repulsive potential onto the ethanolamine hydrogens)
Simulation length (ps) 300100
Trajectory size 522017636
Pre-equilibration time 0
Time left out 100
Temperature (K) 300
Number of particles 47112
Software gromacs
Ions N/A
Water SOL
Lipids - L1 DOPC:DOPE (64:64)
Lipids - L2 DOPC:DOPE (64:64)
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Lipids


DOPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DOPE
  • 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 DOPC

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DOPE

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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 nm
Area per lipid : 68.6 Å2