[CP2K-user] [CP2K:20865] Data loss in HILLS files during metadynamics simulation with PLUMED
Nacho Sanz Martinez
naxo.sanzmartinez at gmail.com
Wed Nov 6 08:58:51 UTC 2024
Hello everyone, I am running a metadynamics simulation using PLUMED as a
plugin to add the external potential, and in this simulation, I have two
walkers. This methodology has always worked well for me, but this morning I
noticed that the HILLS files were missing data from t=0 to t=23 ps in both
HILLS files. Is there any way to recover this information? 23 ps represents
a significant amount of simulation time and computation
--
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/f7d4c4b9-8d9f-4c7e-98c9-92a7ab6269e3n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241106/b5e782ab/attachment.htm>
More information about the CP2K-user
mailing list