[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.


> 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?
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com <mailto:cp2k+uns... at googlegroups.com>.
> To post to this group, send email to cp... at googlegroups.com <mailto:cp... at googlegroups.com>.
> Visit this group at http://groups.google.com/group/cp2k <http://groups.google.com/group/cp2k>.
> For more options, visit https://groups.google.com/d/optout <https://groups.google.com/d/optout>.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150703/43168d61/attachment.htm>

More information about the CP2K-user mailing list