Re: AMBER: Antechamber/formatting question

From: FyD <>
Date: Mon, 28 Feb 2005 05:43:23 +0100

> Quoting Kara Di Giorgio <>:
> > I have a pdb of the modified guanine. My problem is the "caps". I
> > have charges and everything else for the modified guanine. How do I
> > handle removing the "cap"? When I load the DNA and my modified residue
> > into xLeap, it keeps the cap atoms. If I delete them, it tells me that
> > there is no longer an integral charge, etc. What should I do?

And yes, I forgot, read this paper before to use any software.
This is the reference:
Cieplak et al. J Comput Chem 1995 16 1357-1377

regards, Francois

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Received on Mon Feb 28 2005 - 04:53:01 PST
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