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

Ant ant... at gmail.com
Wed Oct 23 09:05:15 UTC 2019

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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191023/cf70d117/attachment.htm>

More information about the CP2K-user mailing list