[CP2K-user] [CP2K:12400] How to plot RDFs for NPT simulations?

Josip Lovrić josip7... at gmail.com
Wed Oct 23 09:09:23 UTC 2019

Have you checked mdanalysis? They have nice libraries for reading data and
also analyze.


sri, 23. lis 2019. u 11:05 Ant <ant... at gmail.com> napisao je:

> I am re-posting a question I already asked in the hope that someone who
> can help will see it.
> I already have NPT simulation results and would like to plot RDFs.  I
> usually use VMD, but the RDF GUI only allows a single set of cell
> parameters.  I need to be able to enter a distinct set of cell parameters
> at each time step.
> Does anyone know whether it is possible to do this in VMD or if there is
> another piece of software that can do it?  I have not found anything in my
> own searches.  Thank you.
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