getting the center of mass of each part of a molecule
jladasky at itu.edu wrote:
> 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.
He said he wanted to divide the molecule into two parts based
somehow on the centre of mass previously calculated, which sounds
like the division isn't predetermined.
But yes, if you already know which atoms belong to each half,
then there's no difficulty.
Either way, the problem statement needs some refining before we
can help much more.