Hi all,

I'm trying to define the centroid of a methyl group from the repeat unit of poly(4-methyl-2-pentyne) but I'm havin trouble getting this to work.

When I tried defining the centroid by grouping the methyl group with the C atom that it is bonded to, this wasn't a problem (indicated as centroid 1 in the attached figure). However, this C atom overlaps when defining the centroid (centroid 2) of the double-bonded C atoms. I'd like to ultimately define 3 different centroids in this monomer, but the undesired overlapping of the C atoms in centroids 1 and 2 is giving me troulble. Is there a reason why Materials Studio does not allow for defining a centroid for only the methyl groups, or am I missing something?

Any help would be appreciated!

Best Regards,

Matthew