AMBER Archive (2009)

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

From: case (
Date: Tue Sep 15 2009 - 09:38:23 CDT

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?


AMBER mailing list