Hello,
This error means that there is no map for your ligand in the map.DG-AMBER
file located in $AMBERHOME/dat/
You will have to either create one, or generate the restraint file using
another method.
My suggestion if you want to do the first is to create a local copy of the
map file, which you can edit to include the STL ligand/residue.
If you want to do that latter, and create the restraint file using another
method, you can use CPPTRAJ as a parser to go from residue to atom number,
and then format the restraints using printf.
Hope this helps,
Christina
On Tue, Nov 12, 2019 at 12:20 PM maya nair <mayasnair1.gmail.com> wrote:
> I am trying to the MD analysis of DNA-ligand complex including NMR
> rectraints. I am able to do it for alone DNA. But when I am giving the nmr
> distance file to create DIST file, it says "Error no map function for STL
> ..............'. how can I incorporate the ligand in the map file. If
> anyone knows please give a reference file or directions.
> Thank you
> Maya
>
> --
> Maya S Nair
> Assistant Professor
> Department of Biotechnology
> IIT Roorkee
> India
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
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Christina Bergonzo
Research Chemist
Biomolecular Measurement Division, MML, NIST
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Received on Tue Nov 12 2019 - 10:30:03 PST
