It would help if you can tell us exactly what you did to receive the error.
Please send your leap input file thet shows which libraries were loaded.
On Mon, Sep 26, 2022, 3:57 AM Tamsila Parveen via AMBER <amber.ambermd.org>
wrote:
> Dear Sir,
> I have loaded the same libraries, the residues are same in the ligand
> libraries as mentioned in complex file. Kindly resolve the issue
>
>
> Regards
>
> On Wed, Sep 21, 2022 at 5:19 PM David A Case <david.case.rutgers.edu>
> wrote:
>
> > On Wed, Sep 21, 2022, Tamsila Parveen via AMBER wrote:
> >
> > >There is an issue when I am saving amberparams for prmtop and inpcrd
> > files,
> > >amber does not read ligand molecules' few atoms in complex file and
> > >generate following errors
> > >
> > >FATAL: Atom .R<UNL 740>.A<N 1> does not have a type.
> > >FATAL: Atom .R<UNL 740>.A<C 2> does not have a type.
> > >FATAL: Atom .R<UNL 740>.A<O 3> does not have a type.
> > >FATAL: Atom .R<UNL 740>.A<F 4> does not have a type.
> > >FATAL: Atom .R<UNL 740>.A<S 5> does not have a type.
> >
> > We would need more details to be of any help. The messages above
> generally
> > arise when you have atoms in your input pdb file (such as residue UNL,
> atom
> > N, etc) that are not present in the ligand libraries that you created.
> > Make
> > sure the residue and atom names in the pdb file exactly match those in
> > whatever libraries you loaded.
> >
> > ....hope this helps....dac
> >
> >
>
> --
> *******************************************************************
> *Tamsila Parveen*
> *Lecturer*
> Department of Biosciences
> COMSATS University, Sahiwal Campus
> COMSATS Road, Off GT Road, Sahiwal
> *https://www.linkedin.com/in/tamsila-parveen/
> <https://www.linkedin.com/in/tamsila-parveen-160b545b/>*
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Received on Mon Sep 26 2022 - 03:00:03 PDT
