Thank you. I will try as you suggested.
Maya
On Tue, Nov 12, 2019 at 11:48 PM Christina Bergonzo <cbergonzo.gmail.com>
wrote:
> 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
> >
>
>
> --
> -----------------------------------------------------------------
> Christina Bergonzo
> Research Chemist
> Biomolecular Measurement Division, MML, NIST
> -----------------------------------------------------------------
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Maya S Nair
Assistant Professor
Department of Biotechnology
IIT Roorkee
India
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Received on Tue Nov 12 2019 - 23:30:02 PST
