[CP2K-user] [CP2K:21163] can this be called convergence in metadynamics?

'SAURABH SINGH' via cp2k cp2k at googlegroups.com
Sun Feb 16 12:17:29 UTC 2025


Hello everyone,

I have attached my free energy surfaces 

These represent the average over the last 5 ps of the metadynamics, sampled 
at 100-femtosecond intervals.

Can the system be considered converged?

Thank you

-- 
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 visit https://groups.google.com/d/msgid/cp2k/9576fffc-e538-4156-ae8c-6cf52e2a30a9n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250216/f2214c3f/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: fes_2.png
Type: image/png
Size: 31276 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250216/f2214c3f/attachment-0002.png>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: fes_1.png
Type: image/png
Size: 34148 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20250216/f2214c3f/attachment-0003.png>


More information about the CP2K-user mailing list