How we can lock cartesians properties of an atom then doing geometry optimizations with Avogadro?
It’s likely I have much molecule that simulated, then I just want to lock one of x-axis of an atom.
warm regards,
Indra G.
How we can lock cartesians properties of an atom then doing geometry optimizations with Avogadro?
It’s likely I have much molecule that simulated, then I just want to lock one of x-axis of an atom.
warm regards,
Indra G.
It’s likely I have much molecule that simulated, then I just want to lock one of x-axis of an atom.
Use the “Select” tool to select an atom or atoms. Go to Extensions → Molecular Mechanics → Fix Selected atoms.
If you just want to lock the x-axis, then choose “Constraints…” instead of “Fix Selected” and freeze the x-coordinate. (It’s possible.)
Hope that helps,
-Geoff
ah, thanks. that’s help me a lot…
warm regards,
Indra G.