view article
Figure 3
A schematic diagram of the Amber-based refinement protocol used in this work. This particular schedule has been developed through extensive experimentation and appears to be near-optimal for the goals of this study.

IUCrJ
Volume 9| Part 1| January 2022| Pages 114-133
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521011891