AMBER Archive (2002)

Subject: Re: loadpdb error messages

From: James W. Caldwell (caldwell_at_heimdal.compchem.ucsf.edu)
Date: Tue Sep 10 2002 - 18:49:48 CDT

You don't say whether Leap worked or not.

Since I've never bothered to "put on maximum verbosity" I have no
way of knowing if those messages are "normal" or not. The bottom
line is "Did leap give you prmtop and prmcrd files or not?"

On Tue, 10 Sep 2002, Joel Konkle-Parker wrote:

>I'm running loadpdb from inside xleap on 1eea.pdb. When I put it on
>maximum verbosity, I see the following lines:
>
>--------------------------
>Loading PDB file: ./1eea.pdb
>Matching PDB residue names to LEaP variables.
>Mapped residue SER, term: Terminal/beginning, seq. number: 0 to: NSER.
>(Residue 1: GLU, Nonterminal, was not found in name map.)
>(Residue 2: LEU, Nonterminal, was not found in name map.)
>(Residue 3: LEU, Nonterminal, was not found in name map.)
>(Residue 4: VAL, Nonterminal, was not found in name map.)
>(Residue 5: ASN, Nonterminal, was not found in name map.)
>(Residue 6: THR, Nonterminal, was not found in name map.)
>and on.....
>and on.....
>--------------------------
>
>Is this something I should be worried about?
>
>-Joel
> 

-- 

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