Skip to content
Branch: master
Find file History
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Type Name Latest commit message Commit time
..
Failed to load latest commit information.
Electron_Density_From_Simulation.dat
Form_Factor_From_Simulation.dat
Headgroup_Glycerol_Order_Parameters_Simulation.dat
README.md
sn-1_Order_Parameters_Simulation.dat
sn-2_Order_Parameters_Simulation.dat

README.md

#Order parameters #Delivered by Tom Piggot at https://github.com/NMRLipids/NmrLipidsCholXray/issues/4#issuecomment-247146648 #and https://github.com/NMRLipids/NmrLipidsCholXray/issues/4#issuecomment-250514441

#Trajectories from http://doi.org/10.5281/zenodo.153944

wget https://zenodo.org/record/153944/files/step7_11.tpr wget https://zenodo.org/record/153944/files/step7_11_100-150ns.xtc wget https://zenodo.org/record/153944/files/step7_11_150-200ns.xtc gmx trjcat -f step7_11_100-150ns.xtc step7_11_150-200ns.xtc -o trajectory.xtc mv step7_11.tpr topol.tpr cp ../../../../../../MATCH/MAPPING/mappingPOPCcharmm.txt ./mappingFILE.txt awk -f ../../../../../scripts/makeELECTRONSpopc.awk mappingFILE.txt > electronsLIPID.dat

cp ../../../../../../MATCH/MAPPING/mappingCHOLESTEROLcharmm.txt ./mappingFILEchol.txt awk -f ../../../../../scripts/makeELECTRONSchol.awk mappingFILEchol.txt > electronsCHOL.dat

You can’t perform that action at this time.