AMBER Archive (2009)

Subject: Re: [AMBER] makeDIST_RST: no map function

From: Workalemahu Berhanu (awberhanu_at_gmail.com)
Date: Tue Sep 15 2009 - 10:11:27 CDT

Dear Prof. Case

1 RESIDUE" and "MAPPING" are all upper case.
2 the error is present for other atoms referenced in residue "MOL" e.g H29

ERROR no map function for H29 MOL :data= 20 ASN HD21 71 MOL
H29 15.0

3Do restraints within the
   protein all work?

On Tue, Sep 15, 2009 at 10:38 AM, case <case_at_biomaps.rutgers.edu> wrote:

> On Mon, Sep 14, 2009, Workalemahu Berhanu wrote:
> >
> > I use makeDIST_RST to create *Distance restraints*. Since no standard map
> > file is provided for my organic molecule, I created one that maps all
> atoms
> > of the residues in a molecule and then I added at the end
> >
> > Using MAP file /scratch2/ProjectData/usg/amber/10.0/dat/map.DG-AMBER
> >
> > ERROR no map function for H23 MOL :data= 20 ASN HD22 71 MOL H23
> 15.0
>
> I don't see anything obviously wrong, so will ask the usual troubleshooting
> questions (for you to look at):
>
> 1. I assume(?) the map.DG-AMBER file above is the modified one you
> describe.
> As pointed out earlier on the list, make sure that "RESIDUE" and
> "MAPPING"
> are all upper case.
> 2. Does the error happen only for this particular H23 atom, or for any
> atoms
> referenced in residue "MOL"?
> 3. What is the simplest test case that fails? Do restraints within the
> protein all work?
>
> ...dac
>
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