Trajectory 247

Order parameters quality = N/A

Computational methods Simulation metadata
System 200DOPC_9000SOL_73CAL_146CLA_293K
Author(s) Javanainen, Matti
Date 18/12/2021
DOI 10.5281/zenodo.259443
Publication N/A
Force field Slipids for lipids and Kohagen for ions
Simulation length (ps) 800100
Trajectory size 1560288804
Pre-equilibration time 0
Time left out 0
Temperature (K) 293
Number of particles 53219
Software gromacs
Ions CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146), CAL(73), CLA(146)
Water SOL
Lipids - L1 DPPC (100)
Lipids - L2 DPPC (100)
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Lipids


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 DPPC

Download JSON main

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 : 5.1 nm
Area per lipid : 48 Å2