[AMBER] Partial charge for ligand

From: Lod King <lodking407.gmail.com>
Date: Fri, 10 Apr 2020 17:00:05 -0700

Hi Amber

I wonder if anyone compares the partial charge calculation for some typical
ligands using the following different methods:

AM1BCC (antechamber in AMBER) , Gaussian-B3LYP, Avagadro and Vega ZZ.
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Received on Fri Apr 10 2020 - 17:30:01 PDT