Dear Material Studio users,

I am trying to make a model for water molecules, including oxygen, hydrogen atoms, and two dummy atoms.

One of the dummy atoms would be positioned in the plane of oxygen and hydrogen atoms (so far, the model is a bit similar to TIP4P). This dummy atom, plus the oxygen and hydrogen atoms, should be rigid during MD and GCMC calculations. The other dummy atom is connected to the oxygen atom via a harmonic spring. I made the model, but the problem is how to rigid O, H, and the dummy atom. Appretanlty motion group dynamics does not work in MD Forcite, but only in the Geometry Optimization task.

While searching around the MS community to get ideas, I found this post, posted in 2016. I was wondering if the motion group in dynamics is now supported in MS.

Any advice would be appreciated. Thanks, SJN