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), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79), POT(101), CLA(79)
Water TIP3
Lipids - L1 POPS:POPC (11:55)
Lipids - L2 POPS:POPC (11:55)
Files View on GitHub main
 Download PDB File
 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 : 4.5 nm
Area per lipid : 61 Å2