We're close to having sidechain NCMC moves working, thanks to @khburley , but I just realized we should also eventually make it so the same type of move (under a different name) can be applied to arbitrary bond rotations to allow flexible selection of bonds for sampling enhancement. This is just a placeholder to remind us to do that eventually.
We're close to having sidechain NCMC moves working, thanks to @khburley , but I just realized we should also eventually make it so the same type of move (under a different name) can be applied to arbitrary bond rotations to allow flexible selection of bonds for sampling enhancement. This is just a placeholder to remind us to do that eventually.