Trajectory 238

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC50%DHMDMAB_T313K
Author(s) Ollila, O.H.Samuli
Date 01/10/2021
DOI 10.5281/zenodo.1288297
Publication N/A
Force field CHARMM36
Simulation length (ps) 200010
Trajectory size 3464061040
Pre-equilibration time 0
Time left out 20
Temperature (K) 313
Number of particles 46802
Software gromacs
Ions CLA(88)
Water TIP3
Lipids - L1 POPC:DHMDMAB (50:44)
Lipids - L2 POPC:DHMDMAB (50:44)
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

Download JSON main

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 : 3.7 nm
Area per lipid : 61.9 Å2