Hello. Is it possible to constrain or lock only specified coordinate directions of a given atom? For example, I would like to run MD with one of the atoms allowed to move only in the x-y plane (lock only z coordinate).
Thank you.
Selective atom constraints
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fgygi
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Re: Selective atom constraints
Unfortunately as of 1.61.0, position constraints do not allow for locking of individual components of atomic coordinates.
Note that it should be easy to add derived classes of the Constraint class that would implement "line" and "plane" constraints. We will add this feature in the to do list!
Note that it should be easy to add derived classes of the Constraint class that would implement "line" and "plane" constraints. We will add this feature in the to do list!