Trajectory 19

Order parameters quality = N/A

Computational methods Simulation metadata
System 72DPPC_2864SOL_8SOD_8CLA_323K
Author(s) Määttä, Jukka
Date 20/04/2022
DOI 10.5281/zenodo.16485
Publication N/A
Force field OPLSAA-compatible Berger-DPPC-06
Simulation length (ps) 120020
Trajectory size 265809168
Pre-equilibration time 0
Time left out 60
Temperature (K) 323
Number of particles 12208
Software gromacs
Ions SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8), SOD(8), CLA(8)
Water SOL
Lipids - L1 DPPC (36)
Lipids - L2 DPPC (36)
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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 nm
Area per lipid : 67.6 Å2