Yes. Check the manual for GeometryConstraints.

Marcos

2010/12/28 Walter Cañón <[email protected]>

> Hi to all Siesta Users, I have a question to all of you.
> There is way to freeze somo atomic coordinates (x,y,z) and let other atomic
> coordinate free??
> So in that way i only can optimize those atoms that are free.
> thanks in advance
> Walter
>
> --
> Walter Alberto Cañón Mancisidor
> [email protected]
>

Responder a