From inge.muszynski@uni-tuebingen.de  Mon Jun 15 08:55:10 1998
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To: chemistry@www.ccl.net
From: Inge Muszynski <inge.muszynski@uni-tuebingen.de>
Subject: J in AM1


Dear CCL'lers,

I am working with the AM1-Hamiltonian in Mopac 6.0 implemented in the
Tripos software SYBYL. While minimizing Iodophenole I recognized that the
atom J had a POSITIVE partial charge of 0,137. Is this correct or could
this be due to the fact that the atom J is only incompletely
parameterized within AM1? (From the page 3-6 in the MOPAC-manual I
concluded that this would not be the case). Could you please help me how
to prove the parameterization of J and tell me where to find the file
where atoms are parameterized.

Many thanks in advance.

Inge Muszynski
-- 
Inge Muszynski                          Auf der Morgenstelle 8
Universitaet Tuebingen                  72076 Tuebingen
Pharmazeutische Chemie                  Tel.: 07071 / 29-75278
                                        Fax:  07071 / 29-2470