Trajectory 120

Order parameters quality = N/A

Computational methods Simulation metadata
System 64DMPC_64DMTAP_48SOD_112CLA_5240SOL_323K
Author(s) Miettinen, Markus S.; Gurtovenko, Andrey A.
Date 10/06/2022
DOI 10.5281/zenodo.53151
Publication 10.1021/jp810233q; ISBN 978-952-60-3194-1
Force field Berger with DMTAP modification by Gurtovenko et al.
Simulation length (ps) 179010
Trajectory size 1392133804
Pre-equilibration time 21
Time left out 0
Temperature (K) 323
Number of particles 21320
Software gromacs
Ions SOD(48), CLA(112)
Water SOL
Lipids - L1 DMPC:DMTAP (32:32)
Lipids - L2 DMPC:DMTAP (32:32)
Files View on GitHub main
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 Link to simulation files
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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 : 56.9 Å2