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OrdParPOPC_rep_1.dat
OrdParPOPC_rep_2.dat
OrdParPOPS_rep_1.dat
OrdParPOPS_rep_2.dat
README.md
electron_density.out
number_density.out

README.md

Data from https://doi.org/10.5281/zenodo.1227256

by Batuhan Kav http://nmrlipids.blogspot.com/2017/03/nmrlipids-iv-headgroup-glycerol.html?showComment=1524581650542#c4627966291656120911

#wget https://zenodo.org/record/1227257/files/PCPS-KCl500_rep1.nc #wget https://zenodo.org/record/1227257/files/PCPS-KCl500mm.prmtop

#mv PCPS-KCl500_rep1.nc ncFILE.nc #mv PCPS-KCl500mm.prmtop prmtopFILE.prmtop

#python2.7 ../../../../../scripts/calcOrderParameters.py -i order_parameter_definitions_Lipid14_DOPS.def -t prmtopFILE.prmtop -x ncFILE.nc -o OrdParsPOPS.dat #python2.7 ../../../../../scripts/calcOrderParameters.py -i order_parameter_definitions_Lipid14_DOPC.def -t prmtopFILE.prmtop -x ncFILE.nc -o OrdParsPOPC.dat

paste OrdParPOPS_rep_1.dat OrdParPOPS_rep_2.dat | awk '{if(NR==1){print "#Average over two replicas \n #order parameter sem"};if(NR>2){print $1" "($5+$12)/2" "($7+$14)/2}}' > OrdParsPOPS.dat paste OrdParPOPC_rep_1.dat OrdParPOPC_rep_2.dat | awk '{if(NR==1){print "#Average over two replicas \n #order parameter sem"};if(NR>2){print $1" "($5+$12)/2" "($7+$14)/2}}' > OrdParsPOPC.dat