MD Simulation of AtALMT9 TMD Using Martini3 and charmm36 Force Field

This dataset contains the MD simulation data associated with the article: "Structural basis for malate-driven, pore lipid-regulated activation of the Arabidopsis vacuolar anion channel ALMT9" (Not published yet) Folder AA : All-atom simulation files. CG : Coarse-grained simulation files. toppar : parameter files. File Description conf.pdb : Initial structure of the simulation. all.fit.10ns.now.zen.xtc : trajectory file without water. now.pdb : coordinate file of corresponding trajectory. topol.top : GROMACS topology file.