Dataset A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins/HDAC2_data/Workflow/LJ1264/Restrained/R2/Subsequent DFTB3/Subsequent B3LYP/Subsequent B3LYP with diffuse functions Back to top level A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Up one level A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins/HDAC2_data/Workflow/LJ1264/Restrained/R2/Subsequent DFTB3/Subsequent B3LYP Data Resources B3LYP(diffuse)_0-230steps.nc BIN Explore More information Go to resource B3LYP(diffuse)_230-480steps.nc BIN Explore More information Go to resource B3LYP(diffuse)_480-590steps(converged).nc BIN Explore More information Go to resource gau_job.tpl TXT Explore Preview Download Min_QM.i TXT Explore Preview Download read_me.txt TXT Explore Preview Download