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Re: Plot transition dipole moment vector contributed by molecular fragmen

dummy@example.com (sobereva) — Tue, 31 May 2022 05:04:10 +0000

I don't fully understand your question.
It doesn't matter if the serial of the atoms of your interest is not contiguous. For example, dip "serial 1 5 to 8 11 to 14 18" will plot the dipole moment for the fragment consisting of atoms 1,5,6,7,8,11,12,13,14,18.

Plot transition dipole moment vector contributed by molecular fragmen

dummy@example.com (bidhanchgarain) — Tue, 31 May 2022 04:58:43 +0000

Hi,
I was following the above tutorial. But in my case, there are two molecules. In the last fragment case their labels are not in serial
e.g. dip "serial 1 to 11"

How to write labels in that case?

Thank you,
Bidhan