On Mon, Nov 12, 2012 at 4:05 AM, Sumra Wajid Abbasi 30-FBAS/MSBI/F09 <
sumra.msbi30.iiu.edu.pk> wrote:
>
> Created a new atom named: HD1 within residue: .R<HIE 283>
> Created a new atom named: HD1 within residue: .R<HIE 299>
> Creating new UNIT for residue: UNK sequence: 374
>
You do not have a library file for the UNK residue. Or if you do, you did
not load it into tleap. Therefore, tleap has no idea what this residue is,
and it will be unable to load the parameters for it.
Please see
http://ambermd.org/tutorials/basic/tutorial4b/ for using
antechamber (which is typically used to help generate parameters and
charges for *just* a single residue like UNK in this instance).
All of your later error messages come from this mistake.
Good luck,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Mon Nov 12 2012 - 04:30:02 PST
