Trajectory 735

Order parameters quality = N/A

Computational methods Simulation metadata
System DOPC_450mM_NaCl_at_303K_with_AMOEBA
Author(s) Kav, Batuhan
Date 08/02/2023
DOI 10.5281/zenodo.7604711
Publication N/A
Force field AMOEBA
Simulation length (ps) 218400
Trajectory size 1491950600
Pre-equilibration time 0
Time left out 0
Temperature (K) 303
Number of particles 18610
Software openMM
Ions SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17), SOD(17), CLA(17)
Water HOH
Lipids - L1 DOPC (36)
Lipids - L2 DOPC (36)
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Lower leaflet

Lipids


DOPC
  • 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 DOPC

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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 : 3.9 nm
Area per lipid : 69.8 Å2