Dear Jason
thank you..
regards
Sumra
On Mon, Nov 12, 2012 at 5:25 PM, Jason Swails <jason.swails.gmail.com>wrote:
> 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 - 21:00:02 PST
