[CP2K-user] Restart with atom kind error
Amami Haruka
amami... at gmail.com
Wed Mar 3 15:44:45 UTC 2021
I tried to continue the simulation with restart file with cp2k8.1. The
first simulation starts from a PDB coordinate file and finished normally.
However, the new simulation gives Unknown element for KIND <HX1> error.
when reading the restart file, even though no PDB file is being provided.
The first simulation is run with the command cp2k.sopt monitor.inp >
monitor.out.
The second simulation is run with the command cp2k.sopt metaD.inp >
metaD.out.
The input and out files are attached.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210303/ff03ad79/attachment.htm>
More information about the CP2K-user
mailing list