Trajectory 603

Order parameters quality = N/A

Computational methods Simulation metadata
System 104POPC_24POPS_4306SOL_72CAL_112CLA_310K
Author(s) Cwiklik Lukasz
Date 27/03/2022
DOI 10.5281/zenodo.887400
Publication 10.1038/srep38035
Force field Berger
Simulation length (ps) 100010
Trajectory size 729211960
Pre-equilibration time 200
Time left out 0
Temperature (K) 310
Number of particles 19830
Software gromacs
Ions CAL(72), CLA(112)
Water SOL
Lipids - L1 POPC:POPS (52:12)
Lipids - L2 POPC:POPS (52:12)
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 Link to simulation files
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Upper leaflet
Lower leaflet

Lipids


POPS
  • 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 POPS

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Group sn-1

Group sn-2

Group headgroup

Group glycerol 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 : 4.9 nm
Area per lipid : 53.4 Å2