Re: AMBER: Xleap errors

From: David A. Case <>
Date: Mon, 2 Apr 2007 10:32:47 -0700

On Mon, Apr 02, 2007, Beale, John wrote:

> .R<NPRO1>.A<H1 17> does not have a type
> .R<HIE69>.A<HD1 18> does not have a type
> What do the .R and .A mean? What are the units in brackets trying to
> tell me? I have looked at the pdb file and I can't see any atoms in
> those residues that are missing types.

"R" means residue, and "A" means "atom". It looks like you probably have the
residue names wrong. For example, the pdb file (apparently) has a proton at
the N-delta position, but the residue name is "HIE" (default for "HIS"), which
assumes that the proton is at the N-epsilon position. You will probably have
to modify either the atom names or the residue names in the pdb file.

....good luck....dac

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Received on Wed Apr 04 2007 - 06:07:26 PDT
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