Trajectory 241

Order parameters quality = N/A

Computational methods Simulation metadata
System 104POPC_24OPS_4306SOL_24CAL_16CLA_310K
Author(s) Cwiklik, Lukasz
Date 27/03/2022
DOI 10.5281/zenodo.887398
Publication 10.1038/srep38035
Force field Berger
Simulation length (ps) 100010
Trajectory size 722336140
Pre-equilibration time 200
Time left out 0
Temperature (K) 310
Number of particles 19686
Software gromacs
Ions CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16), CAL(24), CLA(16)
Water SOL
Lipids - L1 POPC:POPS (52:12)
Lipids - L2 POPC:POPS (52:12)
Files View on GitHub main
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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

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 : 4.7 nm
Area per lipid : 56.8 Å2