[DFTB-Plus-User] Impulse Dynamics question
balint.aradi at bccms.uni-bremen.de
Tue Nov 17 10:08:38 CET 2009
Dear Prof. Azevedo,
> I would like to know how to set up initial velocities
> to some atoms in a MD simulation while keeping
> others atoms of the system fixed.
> For me is important to verify the collision reactivity.
> It would be of great help if someone could send me
> an input example.
If everything goes well :-), this should be available in 1.1.
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
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