Subject: INDOLE with MOPAC

From: Sanja Tomic <[email-masked]>
Date: Fri, 19 Oct 2001 13:39:59 -0700

Dear CCLer's,

I have problems with optimization of indole ring by MOPAC/PM3 (and
similar MOPAC/MNDO)
The optimization does not preserve planarity of H bonded to N with the
indole ring?
Does anybody  have some experience with this problem

Thanks
Sanja

--
Dr. Sanja Tomic
Institute "Rudjer Boskovic"
Bijenicka 54
HR-10000 ZAGREB
Croatia