[gmx-users] Volume of active site

[Raj D]

Dear user,
I have completed a set of MD simulations of mutants and wild type of a
protein complexed with its substrate in its active site , I have inferred
that the active sites of all mutant enzymes have gone enlarged relative to
wild type which is  consistent with our kinetic study of the mutants, the
Km values are so high for all mutant enzymes and I would like quantify the
volume of the active site comprising a set of 17 active site residues ..Is
there any direct or indirect tool in gromacs to compute the volume like
that ? Or any free tools available .
Regards,
Raja