NPT calculation on CP2K

[simin pahlavi]

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 
NPT
 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.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180425/ee02cd50/attachment.htm>