Re: [AMBER] About -dr option in Antechamber

From: David Case <>
Date: Wed, 10 Jul 2019 16:34:38 +0000

On Wed, Jul 10, 2019, Alan wrote:
>Now that I am familiar with acdoctor, I would like to make a suggestion.
>I still would like to be able to run antechamber with acdoctor on but not
>exiting the programme, something that would still generate the topologies
>but with all the acdoctor warnings, e.g.
>-dr ok (print warning but go ahead anyway)

Why not just run antechamber twice, the second time with "-dr n" to turn
off acdoctor checking (assuing that acdoctor led to a program exit on
the initial run)?

That said, your suggestion is a reasonable one.


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Received on Wed Jul 10 2019 - 10:00:03 PDT
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