[CP2K:6743] qmmm metadynamics in cp2k

Santanu Das sant... at iiserb.ac.in
Fri Jul 3 07:04:33 UTC 2015


thanks

On Fri, Jul 3, 2015 at 12:18 PM, Teodoro Laino <teodor... at gmail.com>
wrote:

> 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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