Trajectory 116

Order parameters quality = N/A

Computational methods Simulation metadata
System 110POPC_22POPS_4946SOL_101POT_79CLA_298K
Author(s) Ollila, O. H. S.
Date 01/10/2021
DOI 10.5281/zenodo.1493246
Publication N/A
Force field CHARMM36
Simulation length (ps) 150010
Trajectory size 1817047620
Pre-equilibration time 50
Time left out 0
Temperature (K) 298
Number of particles 32552
Software gromacs
Ions POT(101), CLA(79)
Water TIP3
Lipids - L1 POPS:POPC (11:55)
Lipids - L2 POPS:POPC (11:55)
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

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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 : 4.5 nm
Area per lipid : 61 Å2