Skip to main content
. Author manuscript; available in PMC: 2020 Sep 10.
Published in final edited form as: J Chem Theory Comput. 2019 Aug 29;15(9):4982–5000. doi: 10.1021/acs.jctc.9b00327

Figure 10.

Figure 10.

Water pair interaction geometries with model compound M2. Interactions (a) and (b) have the NH vector collinear with water HOH angle bisector; in (a) the water molecule is coplanar with the amide group and in (b) the water molecule is perpendicular. Interaction (c) has the CO vector collinear with the water HO vector and interaction (d) has these two vectors forming a 120°angle; in both (c) and (d) water molecule is coplanar with the amide group. (All molecular graphics were prepared with VMD155)