I have used ‘compute voronoi/atom’ to calculate the volume of a group befor.
Now I found the developers added som options for voronoi/atom command.
as I understand from ducumentation the suggestion for calculate the volume of a group is using only_group options. but I used this options and compared the result
with the older method, I found there is big diffrence and it is not ok. also the volume of
a group that calculated is constant during simulation. I put following the older and new commands. please advise me where I am wrong.
compute vol all voronoi/atom
compute vol1 group_1 reduce sum c_vol
compute newvol group_1 voronoi/atom only_group
compute vol2 group_1 reduce sum c_newvol