Trajectory 757

Order parameters quality = N/A

Computational methods Simulation metadata
System POPC_350_CaCl2_CHARMMdrude2023_303K
Author(s) Kav, Batuhan
Date 23/07/2023
DOI 10.5281/zenodo.8000065
Publication N/A
Force field Charmm-Drude polarizable
Simulation length (ps) 219590
Trajectory size 5627622780
Pre-equilibration time 200
Time left out 0
Temperature (K) 303
Number of particles 57078
Software openMM
Ions CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82), CAL(41), CLA(82)
Water SWM4
Lipids - L1 POPC (64)
Lipids - L2 POPC (64)
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Upper leaflet
Lower leaflet

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

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 : 4.1 nm
Area per lipid : 65.9 Å2