Trajectory 348

Order parameters quality = N/A

Computational methods Simulation metadata
System 126POPG_374POPE_25000SOL_176SOD_50CLA_310K
Author(s) ANTONIO PEON
Date 17/05/2022
DOI 10.5281/zenodo.2579063
Publication N/A
Force field GROMOS-CKP
Simulation length (ps) 100010
Trajectory size 3799527376
Pre-equilibration time 400
Time left out 0
Temperature (K) 310
Number of particles 101352
Software gromacs
Ions SOD(176), CLA(50)
Water SOL
Lipids - L1 POPG:POPE (63:187)
Lipids - L2 POPG:POPE (63:187)
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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
POPG
  • 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

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPG

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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 : 4.2 nm
Area per lipid : 60.6 Å2