Thanks you Dan
Em 2014-07-30 16:55, Daniel Roe escreveu:
> 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
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Received on Wed Jul 30 2014 - 13:30:03 PDT
