Hi Isaak, Did you have any luck implementing GCMC in CP2K? I also want to run GCMC using CP2K for the MOF. Could you please share the code with me? Thank you! Best, Huy -------------- next part -------------- An HTML attachment was scrubbed... URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200705/89676dd8/attachment.htm>