Dear Sir,
Thanks for helping me to solve the error and I fixed it.
Can you please let me know where I can find the AMBER residue names and
atom types for all the amino acids?
Thanks & regards
*Dr. Ramesh M*
Email: shreeramesh.gmail.com
Mobile: (91) + 9646469938 (27) + (0) 844556164
On Sat, Jun 11, 2016 at 10:20 PM, David A Case <david.case.rutgers.edu>
wrote:
> 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 Mon Jun 13 2016 - 03:30:03 PDT
