[CP2K:6742] qmmm metadynamics in cp2k

Teodoro Laino teodor... at gmail.com
Fri Jul 3 06:48:46 UTC 2015


qmmm-metadynamics and metadynamics inputs are absolutely identical from the metadynamics point of view.
If you know how to run a MTD job you can do that same for qmmm hamiltonians.

Teo

> On 03 Jul 2015, at 08:07, Santanu Das <sant... at iiserb.ac.in> wrote:
> 
> Can anyone provide me the input structure for qmmm-metadynamics simulation in cp2k?
> 
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