Dear Lammps User.
I am modeling the system which contains fully hydroxylated silica.
The Si and O atoms are fixed positions but the H atoms on the surface are able to move with fixed bond lengths and bond angles;each H atom can reorient in a circle.Such circular motion occurs in a plane parallel to the plate at a particular distance away from the O-atom plane of the Si-O-H groups.
I would use the command of “fix” to implement the Si and O atoms.
But I have no idea which command should applied to H atom to realize the reorient with fixed bond lengths and bond angles.
Does anyone who has any suggestion about this?
Thank you very much
All the best
Liyi