Hi,
The ILE residue template in Amber expects that atom name to be CD1, not CD.
You need to rename ILE CD to CD1 in your PDB (recommended) or create an
atom name map in tleap (may cause other issues).
Hope this helps,
-Dan
On Wed, Jul 30, 2014 at 1:43 PM, <renatoac.ufpa.br> wrote:
>
>
> I have problem saving the files complexo.prmtop complexo.inpcrd. Is giving
> this error:
>
> Checking Unit. FATAL: Atom .R<ILE 242>.A<CD 20> does not have a type.
> FATAL:
> Atom .R<ILE 219>.A<CD 20> does not have a type. FATAL: Atom .R<ILE
> 215>.A<CD
> 20> does not have a type. FATAL: Atom .R<ILE 209>.A<CD 20> does not have a
> type. FATAL: Atom .R<ILE 208>.A<CD 20> does not have a type. FATAL: Atom
> .R<ILE 202>.A<CD 20> does not have a type. FATAL: Atom .R<ILE 197>.A<CD 20>
> does not have a type. FATAL: Atom .R<ILE 183>.A<CD 20> does not have a
> type.
> FATAL: Atom .R<ILE 140>.A<CD 20> does not have a type. FATAL: Atom .R<ILE
> 136>.A<CD 20> does not have a type. FATAL: Atom .R<ILE 114>.A<CD 20> does
> not
> have a type. FATAL: Atom .R<ILE 81>.A<CD 20> does not have a type. FATAL:
> Atom
> .R<ILE 75>.A<CD 20> does not have a type. FATAL: Atom .R<ILE 72>.A<CD 20>
> does
> not have a type. FATAL: Atom .R<ILE 69>.A<CD 20> does not have a type.
> FATAL:
> Atom .R<ILE 61>.A<CD 20> does not have a type. Failed to generate
> parameters
> Parameter file was not saved.
>
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Jul 30 2014 - 13:00:03 PDT
