Trajectory 14

Order parameters quality = N/A

Computational methods Simulation metadata
System 32DMPC_96DMTAP_96CLA_5496SOL_323K
Author(s) Miettinen, Markus S.; Gurtovenko, Andrey A.
Date 21/06/2022
DOI 10.5281/zenodo.51747
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 873425100
Pre-equilibration time 31
Time left out 0
Temperature (K) 323
Number of particles 21800
Software gromacs
Ions CLA(96)
Water SOL
Lipids - L1 DMPC:DMTAP (16:48)
Lipids - L2 DMPC:DMTAP (16:48)
Files View on GitHub main
 Download PDB File
 Link to simulation files
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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 : 3.5 nm
Area per lipid : 61.6 Å2