Trajectory 737

Order parameters quality = N/A

Computational methods Simulation metadata
System 128POPC_6400SOL_41CaCl2_303K
Author(s) Kav, Batuhan
Date 08/02/2023
DOI 10.5281/zenodo.7600827
Publication N/A
Force field Charmm-Drude polarizable; system has been equilibriated using Charmm36
Simulation length (ps) 513320
Trajectory size 18237291768
Pre-equilibration time 100
Time left out 100
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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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 : 4.1 nm
Area per lipid : 64.1 Å2