molecular-simulation-tools icon indicating copy to clipboard operation
molecular-simulation-tools copied to clipboard
verified publisher icon Autodesk

QM/MM workflow complete

Open avirshup opened this issue 8 years ago • 0 comments

Users can run and end-to-end QM/MM optimization of a ligand that's non-covalently bound to a host protein

MDT implementation: https://github.com/Autodesk/molecular-design-toolkit/pull/131

avirshup avatar Jan 17 '17 17:01 avirshup