Are you doing adaptive QMMM? On Apr 11, 2013, at 4:11 PM, Pietro Vidossich <vi... at klingon.uab.es> wrote: > rebuilding the QM/MM calculation -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20130411/d405ce07/attachment.htm>