[AMBER] Questions on deriving charges for aromatic compounds using The RESP Method

From: Lucas Bandeira <bandeiralucas97.gmail.com>
Date: Tue, 1 Sep 2020 20:37:54 -0300

Dear Amber community,

I am trying to derive charge for benzene and toluene molecules using The
RESP Method. However, when I generate the .ac and the .mol2 files the atom
types specified for the C and the H atoms are not for aromatic carbons. I
am sending in attachment the mol2 file for the toluene molecule. How could
I correct this? Just modifying the file by myself? Or there is an option
that I have to specify in antechamber?

Faithfully yours,

Lucas Bandeira
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Received on Tue Sep 01 2020 - 17:00:02 PDT
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