ADL: why the gasteiger charges are different generated by the ADT GUI METHOD and prepare_ligand4.py
diogo.stmart at gmail.com
Wed Jan 10 20:26:14 PST 2018
I don't know the answer to your question, but I suggest you try openbabel
to generate pdbqt files.
On Jan 7, 2018 5:47 PM, "陈照强" <zqchen at simm.ac.cn> wrote:
why the gasteiger charges are different generated by the ADT GUI METHOD
Any advice and suggestions will be greatly appreciated.
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