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General Questions and Answers / constraint a dihedral angle
« on: May 18, 2015, 05:24 »
Dear QuantumWise users,
Is there anyway that I constraint a dihedral angle while minimizing the geometry? I don't want to fix atoms, rather I would like to fix the dihedral angle so that the molecules can mover in their plane which doesn't change the dihedral angle.
Any advice is very much appreciated.
Thanks,
Amir
Is there anyway that I constraint a dihedral angle while minimizing the geometry? I don't want to fix atoms, rather I would like to fix the dihedral angle so that the molecules can mover in their plane which doesn't change the dihedral angle.
Any advice is very much appreciated.
Thanks,
Amir