Trajectory 542

Order parameters quality = N/A

Computational methods Simulation metadata
System 1152DPPC_46440SOL_124SOD_124CLA_300K
Author(s) Javanainen, Matti; Martinez-Seara, Hector; Vattulainen, Ilpo
Date 23/12/2021
DOI 10.5281/zenodo.439080
Publication 10.1038/s41598-017-01247-9
Force field Slipids
Simulation length (ps) 500100
Trajectory size 5403749940
Pre-equilibration time 0
Time left out 0
Temperature (K) 300
Number of particles 289328
Software gromacs
Ions SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124), SOD(124), CLA(124)
Water SOL
Lipids - L1 DPPC (576)
Lipids - L2 DPPC (576)
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Lipids


DPPC
  • Quality total: N/A
  • Quality headgroups: N/A
  • Quality tails: N/A
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Related experiments:

Article DOI Internal ID Type Temperature Actions

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 : 4.7 nm
Area per lipid : 53 Å2