[CP2K-user] Could I know which atoms are fixed during the MD from outfile?

jt Yang jtyan... at gmail.com
Mon Nov 11 14:14:57 UTC 2019


Hi,

I'm a beginner cp2k, and have got some questions about fixed_atoms.
1. How could I know which atoms are fixed during the MD from outfile?

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191111/69479c11/attachment.htm>


More information about the CP2K-user mailing list