id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
642	OpenMM bug	tic20@…	tic20@…	"{{{
Hi all,

Please take a look at the issue I've just posted on the OpenMM Github site: https://github.com/pandegroup/openmm/issues/1790. Something's all of a sudden going badly wrong with how OpenMM behaves when I have map forces included. Granted I haven't used it much over the last few months while I was working on the Clipper plugin, but I haven't seen any behaviour like it before. Not sure if I just got lucky with the test cases I chose previously, or if the move to Python 3.6 has subtly broken things. I do see there's an updated OpenMM version out (7.1 - we're on 7.0.1) - it might be worth upgrading in case that fixes it?

Thanks,

Tristan

 
 
Tristan Croll
Research Fellow
Cambridge Institute for Medical Research
University of Cambridge CB2 0XY
 

 
}}}
"	defect	closed	normal		Structure Editing		fixed		chimera-programmers@…				all	ChimeraX