Re: AMBER: check in leap

From: David A. Case <>
Date: Tue, 15 Feb 2005 13:17:07 -0800

On Tue, Feb 15, 2005, Gustavo Pierdominici Sottile wrote:

> In the system I use, I have two non standard aminoacids. None of them
> have a total integral charge. One of them has -0.11 and the other one just
> the opposite so as to make then be a neutral group.
> The question is: when I do check AMI (the non standard aminoacid) besides a
> warning message, it also appears an error message saying that the charge of
> the unit is not integral, is there any problem with this?

These are just warnings, as far as I know, and you can ignore them if you
know that the units are supposed to have non-integral charge.


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Received on Tue Feb 15 2005 - 21:53:00 PST
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