Re: [AMBER] Non-Standard Residues Problems

From: David A Case <>
Date: Fri, 1 Jul 2011 07:59:18 -0400

On Thu, Jun 30, 2011, David Cantu wrote:

> I have a deprotonated hydroxyl group (O-). Is it better to treat antechamber
> with the -m and -nc flags, or just place the hydrogens for antechamber
> purposes?
> with a O-, charge would be -1, and m would be 2 or 3?

The only multiplicity allowed is 1; the charge is whatever the total charge on
the molecule is; all hydrogens need to be present in the input structure.


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Received on Fri Jul 01 2011 - 05:00:03 PDT
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