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Kdens.xvg
OrdPars.dat
OrdParsFORplot.dat
README.md
area.dat

README.md

#Original data from https://doi.org/10.5281/zenodo.1434990

wget https://zenodo.org/record/1434990/files/POPS_k.xtc wget https://zenodo.org/record/1434990/files/POPS_k.tpr wget https://zenodo.org/record/1434990/files/POPS_k.gro

mv POPS_k.tpr topol.tpr mv POPS_k.gro conf.gro

echo System | gmx trjconv -f POPS_k.xtc -s topol.tpr -b 50000 -o traj.xtc cp ../../../../../scripts/orderParm_defs/order_parameter_definitions_MODEL_MACROG_POTASSIUMcounterion_POPS.def defFILE.def sh ../../../../../scripts/order_parameters_calculate.sh

gmx density -f traj.xtc -s topol.tpr -dens number -o Kdens.xvg -center