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List of data removed when preparing the final plots #5

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markussmiettinen opened this issue Mar 19, 2021 · 0 comments
Open

List of data removed when preparing the final plots #5

markussmiettinen opened this issue Mar 19, 2021 · 0 comments

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@markussmiettinen
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markussmiettinen commented Mar 19, 2021

The following data were removed when creating the final plots.

From figure showing the pure PE order parameters:

Due to lack of DOPE experimental data (and because there were corresponding POPE data for all these):

  • DOPE 271K GROMOS-CKP
    file: ../../../MATCH/Data/Lipid_Bilayers/DOPE/T271K/MODEL_GROMOS-CKP/OrdParsPOPE_forPLOT.dat
    note: This is DOPE, not POPE, despite the file name.
  • DOPE 271K Berger-Vries
    file: ../../../MATCH/Data/Lipid_Bilayers/DOPE/T271K/MODEL_BERGER_VRIES/OrdParsPOPE_forPLOT.dat
    note: This is DOPE, not POPE, despite the file name.
  • DOPE 271K Berger with large H
    file: ../../../MATCH/Data/Lipid_Bilayers/DOPE/T271K/MODEL_BERGER_LARGEh/OrdParsPOPE_forPLOT.dat
    note: This is DOPE, not POPE, despite the file name.

Due to another corresponding set, but at the correct experimental temperature (310K):

  • POPE 300K MacRog
    file: ../../../MATCH/Data/Lipid_Bilayers/POPE/T300K/MODEL_MACROG/Headgroup_Glycerol_Order_Parameters_Simulation.dat
  • POPE 313K GROMOS-CKP
    file: ../../../MATCH/Data/Lipid_Bilayers/POPE/T313K/GROMOS-CKP/OrdParsPOPE_forPLOT.dat

From figure showing the pure PG order parameters:

Due to another corresponding set, but at the correct experimental temperature (298K for POPG, 314K for DPPG):

  • POPG 310K CHARMM36
    file:
    ../../../MATCH/Data/Lipid_Bilayers/POPG/T310K/MODEL_CHARMM36_500lipids/Headgroup_Glycerol_Order_Parameters_Simulation.dat
  • POPG 310K Slipids
    file: ../../../MATCH/Data/Lipid_Bilayers/POPG/T310K/MODEL_SLIPID_500lipids/Headgroup_Glycerol_Order_Parameters_Simulation.dat
  • DPPG 298K Slipids
    file: ../../../MATCH/Data/Lipid_Bilayers/DPPG/T298K/MODEL_SLIPIDS/Headgroup_Glycerol_Order_Parameters_Simulation.dat
ohsOllila pushed a commit that referenced this issue May 3, 2021
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