[CP2K-user] [CP2K:12637] Re: output trajectory not periodic by setting "PERIODIC XYZ-POISSON"

lizzy bai baili... at gmail.com
Sat Dec 14 08:00:28 UTC 2019

Dear Prof. Travis

Thank you very much for you information.
I have formated the trajectory as DCD. Then the outfile only has DCD file,
no xyz file. The following keywords I used as below:
       MD 1
     &END EACH

Best regards


Travis <polla... at gmail.com> 于2019年12月13日周五 下午10:45写道:

> Hi,
> You load an XYZ first. Then load DCD as additional data. DCD doesn't
> contain atom names.
> -T
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