Trajectory 102

Order parameters quality = N/A

Computational methods Simulation metadata
System 120DMPC_8DMTAP_8CLA_5099SOL_323K_Berger
Author(s) Miettinen, Markus S.; Gurtovenko, Andrey A.
Date 21/06/2022
DOI 10.5281/zenodo.51639
Publication 10.1021/jp810233q; ISBN 978-952-60-3194-1
Force field Berger with DMTAP modification by Gurtovenko et al.
Simulation length (ps) 110010
Trajectory size 851138376
Pre-equilibration time 32
Time left out 0
Temperature (K) 323
Number of particles 21137
Software gromacs
Ions CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8), CLA(8)
Water SOL
Lipids - L1 DMPC:DMTAP (60:4)
Lipids - L2 DMPC:DMTAP (60:4)
Files View on GitHub main
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 Link to simulation files
Hover over a component to view composition data.
Upper leaflet
Lower leaflet

Lipids


DMPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DMTAP
  • 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 DMPC

Download JSON main

Group sn-1

Group sn-2

Group headgroup

Group glycerol backbone

Order Parameters DMTAP

Download JSON main

Group sn-1

Group sn-2

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 : 3.8 nm
Area per lipid : 63.6 Å2