AMBER Archive (2004)

Subject: Re: AMBER: NHE problem

From: David A. Case (case_at_scripps.edu)
Date: Sun May 23 2004 - 11:14:34 CDT

On Sun, May 23, 2004, Ryan Ye wrote:

> I use "loadpdb" to load the structure. The "list"
> command does show a NHE and I can "desc NHE". However
> the pdb file I attached didn't have "NHE" in either
> "desc" or "edit", "desc" only gives me 25 residues
> instead of 26.
>

The last "ATOM" line in your pdb file (the one for the NHE residue) is not
preceded by a line break; it is a continuation of the atom line above it:

ATOM 155 O HYP A 25 11.653 -1.838 -29.247 1.00 0.00
ATOM 156 N NHE A 26 9.598 -2.441 -28.478 1.00 0.00

That is: atoms 155 and 156 are on a single line; this means that LEaP
never read the final atom card.

....dac
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