Dears

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.

Thanks

Mohammad

old commands:

compute vol all voronoi/atom

compute vol1 group_1 reduce sum c_vol[1]

new commands:

compute newvol group_1 voronoi/atom only_group

compute vol2 group_1 reduce sum c_newvol[1]