Re: [AMBER] Error in running FEW calculations

From: Hannes Loeffler <>
Date: Wed, 9 Nov 2016 08:51:25 +0000

On Wed, 9 Nov 2016 01:44:34 -0700
Miguel Rivera <> wrote:

> I see. So essentially since I can't eliminate H and a partial charge
> of zero is needed ,and set, for FEW I am stuck between a rock and a
> hard place. Thanks again for you help!

You can provide a _total_ molecule charge to antechamber via the -nc
command line flag. How FEW allows you to set a non-zero charge, I do
not know.

I do not quite see how not having the hydrogens would be of any help.

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Received on Wed Nov 09 2016 - 01:00:03 PST
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