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Headgroup_Glycerol_Order_Parameters_Simulation.dat
OrdParsPOPE.dat
README.md

README.md

#Original data from https://doi.org/10.5281/zenodo.2641986

wget https://zenodo.org/record/2641987/files/POPE_C36_310K.xtc wget https://zenodo.org/record/2641987/files/POPE_C36_310K.tpr wget https://zenodo.org/record/2641987/files/POPE_C36_310K.gro

mv POPE_C36_310K.tpr topol.tpr mv POPE_C36_310K.gro conf.gro

echo System | gmx trjconv -f POPE_C36_310K.xtc -s topol.tpr -b 100000 -o traj.xtc cp ../../../../../scripts/orderParm_defs/order_parameter_definitions_MODEL_CHARMM36_POPE.def defFILE.def sh ../../../../../scripts/order_parameters_calculate.sh mv OrdPars.dat OrdParsPOPE.dat

sh ~/NMRlipids/MATCH/scripts/grepOPdata3.sh OrdParsPOPE.dat > Headgroup_Glycerol_Order_Parameters_Simulation.dat

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