Trajectory 142

Order parameters quality = N/A

Computational methods Simulation metadata
System 100POPC_6214SOL_70DHMDMAB_70CLA_313K_SPCEmodel
Author(s) Melcr, Josef
Date 15/03/2022
DOI 10.5281/zenodo.1118682
Publication N/A
Force field ECC-lipids
Simulation length (ps) 200000
Trajectory size 1471925944
Pre-equilibration time 0
Time left out 0
Temperature (K) 313
Number of particles 39602
Software gromacs
Ions CLA(70)
Water SOL
Lipids - L1 POPC:DHMDMAB (50:34)
Lipids - L2 POPC:DHMDMAB (50:36)
Files View on GitHub main
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 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DHMDMAB
  • 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 POPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DHMDMAB

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Group sn-1

Group sn-2

Group headgroup

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 : 55.3 Å2