On Fri, Jun 10, 2016, Shreeramesh wrote:
>
> Checking Unit.
> FATAL: Atom .R<CGLU 349>.A<OCT2 18> does not have a type.
> FATAL: Atom .R<CGLU 349>.A<OCT1 17> does not have a type.
You pdb file contains non-standard atom names. The carboxylic oxygens
on a C-terminal residue need to be named "O" and "OXT". Edit the pdb file
to change these.
To find this out for yourself, use the "desc" command in tleap to see what
atom names are in the CGLU unit: you pdb file has to match these.
....dac
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Received on Sat Jun 11 2016 - 10:00:03 PDT
