Trajectory 839

Order parameters quality = N/A

Computational methods Simulation metadata
System IMMmodel_CHARMM_310K
Author(s) A.M.Nesterenko
Date 08/08/2025
DOI 10.5281/zenodo.16001915
Publication https://doi.org/10.5281/zenodo.15600823
Force field CHARMM36
Simulation length (ps) 1000020
Trajectory size 13665707252
Pre-equilibration time 1000
Time left out 0
Temperature (K) 310
Number of particles 73551
Software gromacs
Ions POT(117), CLA(37)
Water TIP3
Lipids - L1 TLCL_0H:SAPC:POPE (20:45:35)
Lipids - L2 TLCL_0H:SAPC:POPE (20:45:35)
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 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


POPE
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
SAPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
TLCL_0H
  • 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 SAPC

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Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters TLCL_0H

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Group sn-1 1

Group sn-1 2

Group sn-2 1

Group sn-2 2

Group headgroup

Group glycerol backbone 1

Group glycerol backbone 2

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 : 78.5 Å2