[CP2K-user] Thoughts on RDFs for NPT ensemble simulations?

[Ant]

Hi Travis:

Sorry for bothering again about this.  If you have time, I would be very 
grateful for some further guidance.

I have been looking into both of the solutions you proposed.  
1. I understand that REFTRAJ allows a trajectory to be read back into 
CP2K.  I found a simple example in slide #41 (third from last) of how to 
modify an input file here:
:
https://www.cp2k.org/_media/events:2015_cecam_tutorial:hahn_mdensembles.pdf

However I have not been able to find any examples online of how to deal 
with reading a second file with cell parameters (which are in the CP2K 
*.cell output file).  I hate to trouble you again, but if you know of where 
I could read about how to do that, I would be very grateful.

2. I have compiled Travis, but have the same problem as with the first 
method.  There doesn't appear to be documentation on how to perform a 
task.  It sounds like you're familiar with Travis and if you have time to 
point me to any examples, that would be much appreciated.  I am comfortable 
with using sed if that's what is required to extract values from the CP2K 
.cell file, but I don't know how to set up the Travis task.  

Thank you again for your patience and helpful suggestions.  
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