AMBER Archive (2009)

Subject: Re: [AMBER] Antechamber ligand prep

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Tue Jan 27 2009 - 08:59:47 CST

On Tue, Jan 27, 2009, George Tzotzos wrote:
>
> 1. When I remove the CONECT lines and get warnings about duplicate
> atoms, ARE THESE WARNINGS IMPORTANT or can I live with these?

These are important, and should be fixed. Antechamber has some ability
to automatically rename atoms to have unique names, but I don't think
you should rely on it.

....dac

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