[CP2K-user] Geometric constraints in CP2K
trann... at gmail.com
Mon Jul 22 04:20:17 UTC 2019
Dear CP2K's experts
Is there a way or trick to perform complex constraints in CP2K ?.
For example, I want to fix the center of a Benzen ring on top of a surface
but lets the atoms of the molecule to routate freely around this center.
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