Hi all,
I am looking to find the volume of an NPT simulation done in a truncated
octahedron simulation box.
In CPPTRAJ, the volume command works. However, in pytraj, I just get an
array of -1 values regardless of mask. Is there a way to calculate the
simulation cell volume in pytraj?
I'd like to use this to better understand and compare my number density
data.
Thank you!
Best,
Shayna Hilburg
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Received on Fri Aug 16 2019 - 15:00:02 PDT
