NPT calculation on CP2K

simin pahlavi simin.... at
Wed Apr 25 18:31:59 UTC 2018

This is my question too. Does somehow, with the  wrap xyz , vmd calculate 
the volume in next steps?
I appriciate if someone say that if it possible to calculate g(r) of cp2k 
 output with VMD or not
Thanks in advance

On Thursday, October 23, 2014 at 12:52:12 AM UTC+2, Alex wrote:
> Have you guys figured this out? It would indeed be neat if VMD could read 
> the box size for rdf calculations from trajectory, but the only thing I see 
> here (running a NPT simulation) is an xyz file, which does not seem to 
> include box size at every step.
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