Restraining molecular motion
Björn Baumeier
bjoern.... at gmail.com
Fri Mar 18 15:26:50 UTC 2016
HI,
a question for the CP2K experts: I'm interested in running MD on a solvated
molecule. Now, I'd like to restrain the motion of this molecule, for
example, the CoM motion to a certain area. How would that be possible with
CP2K?
Thanks!
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