Trajectory 484

Order parameters quality = N/A

Computational methods Simulation metadata
System 200POPC_9000SOL_9CAL_18CLA_310K_NBFIXKim
Author(s) Nencini, Ricky
Date 06/05/2022
DOI 10.5281/zenodo.3434396
Publication N/A
Force field CHARMM36 NBFIX Kim
Simulation length (ps) 875100
Trajectory size 1742498112
Pre-equilibration time 0
Time left out 0
Temperature (K) 310
Number of particles 53827
Software gromacs
Ions CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18), CAL(9), CLA(18)
Water SOL
Lipids - L1 POPC (100)
Lipids - L2 POPC (100)
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Lipids


POPC
  • 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 POPC

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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 : 4.2 nm
Area per lipid : 64.9 Å2