Hi,
Can you please post exact commands for cpptraj and pytraj you’ve tried?
Hai
On Fri, Aug 16, 2019 at 5:56 PM Shayna Hilburg <shayna.hilburg.gmail.com>
wrote:
> 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Aug 16 2019 - 16:00:02 PDT
