Re: [AMBER] antechamber: why the net charge does not sum up to zero?

From: Hannes Loeffler <>
Date: Thu, 5 Jan 2017 11:06:06 +0000

On Thu, 5 Jan 2017 11:52:34 +0100
Azade Yazdan Yar <> wrote:

> The molecule should be charge neutral and I am using ‘-c bcc –nc 0’
> flags. However, the sum of the charges in the output.mol2 generated
> by antechamber is not 0.0.
> [...]
> My question is whether or not this net charge is small enough so I
> can work with it or is there is another trick which I can use?

This question comes up here from time to time e.g. I have answered this
once here

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Received on Thu Jan 05 2017 - 03:30:02 PST
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