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OrdParsPOPE_av.dat
OrdParsPOPE_forPLOT.dat
OrdParsPOPE_rep_1.dat
OrdParsPOPE_rep_2.dat
README.md

README.md

#Data available from https://zenodo.org/record/1293774

wget https://zenodo.org/record/1293774/files/md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1_100-200ns.xtc wget https://zenodo.org/record/1293774/files/for-md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1.tpr wget https://zenodo.org/record/1293774/files/md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1.gro wget https://zenodo.org/record/1293774/files/md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v2_100-200ns.xtc #wget https://zenodo.org/record/1293774/files/for-md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v2.tpr

mv md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1_100-200ns.xtc traj.xtc mv for-md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1.tpr topol.tpr mv md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v1.gro conf.gro

cp ../../../../../scripts/orderParm_defs/order_parameter_definitions_MODEL_CHARMM36ua_POPE.def defFILE.def sh ../../../../../scripts/order_parameters_calculate.sh mv OrdPars.dat OrdParsPOPE_rep_1.dat

mv md_POPE_hexagonal_membrane_CHARMM36_UA_200ns_v2_100-200ns.xtc traj.xtc sh ../../../../../scripts/order_parameters_calculate.sh mv OrdPars.dat OrdParsPOPE_rep_2.dat

paste OrdParsPOPE_rep_1.dat OrdParsPOPE_rep_2.dat | awk -f ../../../../../scripts/averageOVERdata.awk

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