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Headgroup_Glycerol_Order_Parameters_SimulationPOPC.dat
README.md
calc_ORDER_PARAMETERSpopc.sh
sn-1_Order_Parameters_SimulationPOPC.dat
sn-2_Order_Parameters_SimulationPOPC.dat

README.md

From publication Ollila et al. J. Phys. Chem. B 2007, 111, 3139-3150.

Data is uplading to zenodo.

cp ~/NMRlipids/MATCH/MAPPING/mappingPOPSberger.txt ./mappingFILE.txt cp ~/NMRlipids/MATCH/scratch/report/gro_OP.awk ./ cp /home/samuli/work/NMRlipids/MATCH/Data/Lipid_Bilayers/POPC/T298K/MODEL_Berger/ffgmx2.hdb ./ cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/traj10-50ns.trr ./run.trr cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/topol_10-11.tpr ./topol.tpr cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/pr1ns.mdp ./ cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/confout_10-11.gro ./ cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/popc.top ./ cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/lipid.itp ./ cp /media/samuli/be85b54b-6796-4273-9ee1-0914d3a40746/nonionics/POPColdDATA/popc.itp ./

/home/samuli/gromacs/gromacs407/bin/grompp -f pr1ns.mdp -c confout_10-11.gro -p popc.top -o topol407.tpr -v # -n index.ndx -maxwarn 1 cp ../../../../../MAPPING/mappingPOPCberger.txt ./mappingFILEpopc.txt