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
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Received on Wed Sep 21 2022 - 05:30:04 PDT
