Trajectory 165

Order parameters quality = N/A

Computational methods Simulation metadata
System 512POPC_50CER_28100SOL_75SOD_75CLA_310K
Author(s) Hector Martinez-Seara
Date 11/11/2021
DOI 10.5281/zenodo.1219494
Publication 10.1021/acscentsci.7b00556
Force field CHARMM36
Simulation length (ps) 1069800
Trajectory size 6274964124
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 158308
Software gromacs
Ions SOD(75), CLA(75)
Water SOL
Lipids - L1 POPC:CER (256:25)
Lipids - L2 POPC:CER (256:25)
Files View on GitHub main
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 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


CER
  • 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 CER

Download JSON main

Group sn-1

Group sn-2

Group 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 : 4.3 nm
Area per lipid : 61.7 Å2