Jojoba (Simmondsia chinensis) LDAP1 facilitates the efficient packaging of wax esters into lipid droplets

Input structures for a manuscript, along with selected output data and structures. This directory structure contains a cut-down copy of the directories used to generate the simulation data and the analysis. In order to make this fit into the 50GB Zenodo limit, it was constructed with the following tar command: tar -zcvf LDAP1.tar.gz --exclude="*BAK" --exclude="*#" --exclude="*log" --exclude="*xsc" --exclude="*coor" --exclude="*vel" --exclude="*[0-9].out" --exclude="*old" --exclude="*dcd" --exclude="*tmp" --exclude="*ppm" --exclude="*png" --exclude="*pdf" --exclude="*catchy*" --exclude="*svg" --exclude="*restart*" --exclude="*history" --exclude="core.*" --exclude="FFTW_NAMD*" --exclude="*avi" --exclude="*mp4" --exclude="*dimer*" --exclude="models" LDAP1 The data is split into two directories initially "build" and "Simulations" "build" directory is the part where initial system for bilayer and lipid droplet simulation were build. "Simulations" directory has the different namd files for running simulation, and a sub folder of "Analysis" contains script for analysis of the simulation trajectory.