[CP2K-user] [CP2K:19638] Center of mass velocity removal in cp2k
Marco Gallo
mgallo at itcj.edu.mx
Thu Dec 7 23:13:39 UTC 2023
I am carrying a cp2k (AIMD)+plumed and I noticed that the atoms and the box
is translated out of the box after 30 ps. Is this common, or there is a way
to avoid this phenomenon.
Thanks for any help
Marco
--
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+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/c53543d8-b862-4a04-957f-49f4475a11a1n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20231207/2b149a1f/attachment.htm>
More information about the CP2K-user
mailing list