Hi,
You should be able to use the 'volume' command in cpptraj.
parm myparm.parm7
trajin mycoords.rst7
volume V0 out volume.dat
run
-Dan
On Thu, Jul 31, 2025 at 2:34 PM MAMTA YADAV via AMBER <amber.ambermd.org> wrote:
>
> Hello everyone,
> After using the solvateOct command in AMBER to solvate my system, how can I
> calculate the exact volume of the octahedral box?
>
>
>
>
> Thanks and regards,
> Mamta Yadav
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Received on Thu Jul 31 2025 - 12:00:03 PDT
