On Wed, Feb 25, 2015, Swithin Hanosh wrote:
>
> While creating topology and coordinate files for my required protein
> complex using the same above mentioned tutorial, xleap generated the
> following statements:
>
> > saveamberparm complex hMT_SAM.prmtop hMT_SAM.inpcrd
>
> Checking Unit.
> FATAL: Atom .R<SAM 322>.A<N 1> does not have a type.
I'm guessing that there are plenty of error messages before this one. It
looks like you don't have a residue library for residue SAM loaded; OR the
atom names in that residue library don't match the ones in the pdb file.
Since we don't know any of the commands you issued before "saveamberparm", it
is hard to be of more detailed help. A good hint is to look for the first
problem LEaP encounters, not the last one.
....good luck....dac
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Received on Tue Feb 24 2015 - 15:00:03 PST
