Trajectory 354

Order parameters quality = N/A

Computational methods Simulation metadata
System 90POPC_38PAzePCdeprot_7250SOL_38POT_298K
Author(s) Ollila, Samuli; Khandelia, Himanshu
Date 12/04/2022
DOI 10.5281/zenodo.44622
Publication 10.1021/acs.langmuir.6b00788
Force field Berger
Simulation length (ps) 60020
Trajectory size 2029852392
Pre-equilibration time 60
Time left out 0
Temperature (K) 298
Number of particles 28178
Software gromacs
Ions POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38), POT(38)
Water SOL
Lipids - L1 POPC:PAzePCdeprot (45:19)
Lipids - L2 POPC:PAzePCdeprot (45:19)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


PAzePCdeprot
  • 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 PAzePCdeprot

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters POPC

Download JSON main

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 : 3.9 nm
Area per lipid : 64.3 Å2