[CP2K-user] How to plot RDFs for NPT simulation in VMD?

Ant ant... at gmail.com
Mon Oct 21 10:01:53 UTC 2019

Dear all:

I already have CP2K NPT simulation results.  How can I plot RDFs?  The VMD 
GUI allows only one cell parameter specification, but my cell 
volumes/parameters vary at each time step.  Is there another plotting code 
that deals with NPT output or that post-processes CP2K .xyz files according 
to the .cell file output?  

I read that it is possible to specify in the input file that output should 
be corrected at run time for varying cell volume, but I didn't do this and 
can't rerun the simulations.  Any advice would be great.  Thank you.
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