Re: [AMBER] FATAL ERROR

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 15 Feb 2011 17:30:08 -0800

> while loading the pdbfile it was displaying the following messages
> Created a new atom named: HN within residue: .R<LEU 544>
> Created a new atom named: 1HB within residue: .R<ALA 545>

This is due to your pdb having different atom _names_ than the
template. An easy approach is to strip out all the H's and let
leap position them from the templates, or delete just the ones
mentioned, or if you're attached to the coordinates, rename
the atoms to match the template.

Bill

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Received on Tue Feb 15 2011 - 18:00:03 PST
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