Trajectory 742

Order parameters quality = 0.5814

Computational methods Simulation metadata
System DOPC_nosalt_at_303K_with_AMOEBA
Author(s) Kav, Batuhan
Date 08/02/2023
DOI 10.5281/zenodo.7604681
Publication N/A
Force field AMOEBA
Simulation length (ps) 201600
Trajectory size 1373734948
Pre-equilibration time 0
Time left out 0
Temperature (K) 303
Number of particles 18576
Software openMM
Ions N/A
Water HOH
Lipids - L1 DOPC (36)
Lipids - L2 DOPC (36)
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Lipids


DOPC
  • Quality total: 0.5814
  • Quality headgroups: 0.5988
  • Quality tails: 0.57265
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Related experiments:

Article DOI Internal ID Type Temperature Actions
10.1529/biophysj.108.132662 10.1529/biophysj.108.132662/1 FF 303 View
unpublished/ferreiraDOPC unpublished/ferreiraDOPC/1 OP 303 View

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 : 0.5814
OP Quality of headgroups: 0.5988
OP Quality of tails: 0.5727
FF Quality: 1.97

Bilayer thickness : 3.9 nm
Area per lipid : 70 Å2