getting the center of mass of each part of a molecule
On Wednesday, May 17, 2017 at 12:14:10 AM UTC-7, Gregory Ewing wrote:
> I think the problem is ambiguous as stated. There are many planes
> you could pick through the centre of mass that divides the atoms
> into two groups. Some other rule is needed to decide which is the
> "right" one.
I took the OP at their word. S/he wants the center of mass of the whole molecule, with the atomic coordinates as shown. Then s/he wants the center of mass of two subsets of those atoms. Unless I misunderstood, this isn't a particularly difficult task.