id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
8699	Add OpenMM ligand parameterization for tug and minimize mouse modes	Tom Goddard	Tom Goddard	Currently the tug and minimize mouse modes only handle standard amino acids, nucleic acids, water, some ions and a very limited set of ligands.  Nigel Moriarty calculated Amber parameters for most of the PDB ligands in 2019 and those are used in ISOLDE to run OpenMM simulations.  Would be nice to use those with the tug and minimize mouse modes.	enhancement	closed	moderate		MD/Ensemble Analysis		fixed		Elaine Meng Eric Pettersen				all	ChimeraX