[CP2K-user] [CP2K:16140] Create new trajectory file every n steps during MD

Matt D ucecmtd at gmail.com
Thu Oct 28 15:54:51 UTC 2021


Hi everyone,

Is there a keyword to control the size of a "*-pos-1.xyz" output trajectory 
of an MD run?

I would like to CP2K to write a new file every n steps of the run, rather 
than continually appending the trajectory files as they get quite big.

Thanks!

Best wishes,
Matt

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