[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.
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