Re: [AMBER] antechamber error

From: Atila Petrosian <atila.petrosian.gmail.com>
Date: Sat, 19 Sep 2015 00:27:54 +0430

Dear David,

Very very thanks for your helpful answer.

I edited atom names in pdb files to match to mol2 files. The problem was
solved.

I have a general question. I used AM1-BCC for charge method.

I want to know which of the HF/6-31G* RESP and AM1-BCC is the best and
appropriate in GAFF for ligand molecules? I am going to calculate binding
free energy using MM-PB(GB)SA method.

Best,
Atila
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Received on Fri Sep 18 2015 - 13:00:03 PDT
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