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Electron_Density_From_Simulation.dat
Form_Factor_From_Simulation.dat
Headgroup_Glycerol_Order_Parameters_SimulationPOPC.def
OrdParsPOPC.dat
README.md
area.dat
box.xvg
order_parameters_calculatePOPC.sh
sn-1_Order_Parameters_Simulation.dat
sn-2_Order_Parameters_Simulation.dat

README.md

#!/bin/bash
#Model from http://dx.doi.org/10.5281/zenodo.13877

wget https://zenodo.org/record/13877/files/md_chol0.xtc
wget https://zenodo.org/record/13877/files/md_chol0.tpr

mv md_chol0.xtc traj.xtc
mv md_chol0.tpr topol.tpr

sh order_parameters_calculatePOPC.sh

cp ../../../../../../MATCH/MAPPING/mappingPOPCmacrog.txt ./mappingFILE.txt
awk -f ../../../../../scripts/makeELECTRONSpopc.awk mappingFILE.txt > electronsLIPID.dat

cp ../../../../../../MATCH/MAPPING/mappingCHOLESTEROLmacrog.txt ./mappingFILEchol.txt
awk -f ../../../../../scripts/makeELECTRONSchol.awk mappingFILEchol.txt > electronsCHOL.dat  
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