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NAdens1.xvg
NAdens2.xvg
NAdensAV.xvg
OrdParsPOPS.dat
POPS_rep1_OPs.dat
POPS_rep1_OPs.out
POPS_rep2_OPs.dat
POPS_rep2_OPs.out
README.md
area.dat
head-glyc-OPs_ave_min_max.dat

README.md

#Data from http://nmrlipids.blogspot.com/2017/03/nmrlipids-iv-headgroup-glycerol.html?showComment=1524081965753#c5190176912574180774 by T. Piggot #Original data from https://doi.org/10.5281/zenodo.1283334

wget https://zenodo.org/record/1283335/files/md-MacRog_POPS_fix_tails_298K_v1_400-500ns_skip10.xtc wget https://zenodo.org/record/1283335/files/md-MacRog_POPS_fix_tails_298K_v2_400-500ns_skip10.xtc wget https://zenodo.org/record/1283335/files/for-md-MacRog_POPS_fix_tails_298K_v1.tpr wget https://zenodo.org/record/1283335/files/md-MacRog_POPS_fix_tails_298K_v1.gro

mv for-md-MacRog_POPS_fix_tails_298K_v1.tpr topol.tpr mv md-MacRog_POPS_fix_tails_298K_v1.gro conf.gro

mv md-MacRog_POPS_fix_tails_298K_v1_400-500ns_skip10.xtc traj.xtc cp ../../../../../scripts/orderParm_defs/order_parameter_definitions_MODEL_MACROG_POPS.def defFILE.def sh ../../../../../scripts/order_parameters_calculate.sh mv OrdPars.dat OrdParsPOPS_rep_1.dat

mv md-MacRog_POPS_fix_tails_298K_v2_400-500ns_skip10.xtc traj.xtc sh ../../../../../scripts/order_parameters_calculate.sh mv OrdPars.dat OrdParsPOPS_rep_2.dat

paste OrdParsPOPS_rep_1.dat OrdParsPOPS_rep_2.dat | awk -f ../../../../../scripts/averageOVERdata.awk

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