Trajectory 756

Order parameters quality = N/A

Computational methods Simulation metadata
System DPPC:C30(288:16)_T343K
Author(s) Anika Wurl
Date 11/08/2023
DOI 10.5281/zenodo.7572990
Publication https://doi.org/10.1002/mats.202200078
Force field CHARMM36
Simulation length (ps) 100010
Trajectory size 2005650464
Pre-equilibration time 200
Time left out 0
Temperature (K) 343
Number of particles 51875
Software gromacs
Ions N/A
Water SOL
Lipids - L1 DPPC:C30 (148:4)
Lipids - L2 DPPC:C30 (140:12)
Files View on GitHub main
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 Link to simulation files
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Lower leaflet

Lipids


C30
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
Download Mapping File main
DPPC
  • 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 C30

Download JSON main

Group total

Order Parameters DPPC

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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 : 4.3 nm
Area per lipid : 61.6 Å2