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Electron_Density_From_Simulation.dat
Form_Factor_From_Simulation.dat
Headgroup_Glycerol_Order_Parameters_Simulation.dat
README.md
area.dat
box.xvg
ffgmx2.hdb
makeTSTreport.sh
mappingFILE.txt
report.pdf
reportDEMO.pdf
reportDEMO.tex
sn-1_Order_Parameters_Simulation.dat
sn-2_Order_Parameters_Simulation.dat

README.md

Model from http://dx.doi.org/10.5281/zenodo.13279

wget https://zenodo.org/record/13279/files/popc0-25ns.trr wget https://zenodo.org/record/13279/files/popc25-50ns.trr wget https://zenodo.org/record/13279/files/popc407.tpr wget https://zenodo.org/record/13279/files/endCONF.gro

trjcat -f popc0-25ns.trr popc25-50ns.trr -o trajectory.xtc mv popc407.tpr topol.tpr

cp ../../../../../MAPPING/mappingPOPCberger.txt mappingFILE.txt cp /wrk/ollilas1/HGmodel/NMRlipids/lipid_ionINTERACTION/scratch/ffgmx2berger.hdb ./ffgmx2.hdb cp /Users/osollila/NMRlipids/NmrLipidsCholXray/scratch/POPCberger/electronsBERGER.dat ./electronsLIPID.dat

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