On Mon, May 14, 2018, Midhun K Madhu wrote:
>
> > saveAmberParm RHOD step3_rhodopsin.prmtop
> step3_rhodopsin.inpcrd
> Checking Unit.
> FATAL: Atom .R<NMET 1>.A<CAY 20> does not have a type.
> FATAL: Atom .R<NMET 1>.A<CY 21> does not have a type.
> FATAL: Atom .R<NMET 1>.A<OY 22> does not have a type.
> Failed to generate parameters
> Parameter file was not saved.
Most likely, you input PDB file has an MET residue with atoms named CAY,
CY and OY. These atom names don't match those in the Amber (or PDB)
libraries. Depending on how you created this PDB file, you may need to
alter that workflow that made it, or just use a text editor to change
the atom names to standard ones.
....dac
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Received on Mon May 14 2018 - 05:30:03 PDT
