Input data for 'Identifying and Quantifying Membrane Interactions of the Protein Human cis-Prenyltransferase'
收藏资源简介:
This contains reduced data from an upcoming manscript investigating the behavior of human cis-prenyltransferase. The data is taken directly from the directory structure that contains both the simulation and analysis, with excluded trajectory files and velocity files to fit within the zenodo upload limit.The tar command used to generate the tarball carboxysome.tar.gz containing the all-atom MD input: tar -zcvf CPTsims.tar.gz --exclude="*BAK" --exclude="*#" --exclude="*xtc" --exclude="*gro" --exclude="*trr" --exclude="*js" --exclude="*[0-9].log" --exclude="*[0-9].out" --exclude="*old" --exclude="*dcd" --exclude="*tmp" --exclude="*xst" --exclude="*edr" --exclude="*state_prev.cpt" --exclude="*.o[0-9]*" --exclude="*.mp4" --exclude="*.svg" --exclude="*.png" --exclude="*.e" --exclude="*restart*" --exclude="substrateInsertion" --exclude="startingposes" --exclude="constrained" --exclude="unconstrained" --exclude="pre-extension" --exclude="membConstrained" --exclude="startA" --exclude="quickSubInsertion" --exclude="triple" --exclude="double" --exclude="synthLigand" --exclude="*.npy" --exclude="*.npz" --exclude="core.*" --exclude="S1S2extension" --exclude="longFEPextend" --exclude="quickFEPextend" --exclude="*.tga" --exclude="*.ppm" --exclude="startN" --exclude="SMDinsertions" --exclude="*.vel" Simulations



