[gmx-users] amidation at Met

Justin Lemkul jalemkul at vt.edu
Fri Jan 17 16:44:49 CET 2014

On 1/17/14, 10:35 AM, Albert wrote:
> Hello:
> I've got an amidation at a c terminal Met residue. I am just wondering is there
> any parameter in latest c36 FF for such kind of residue?

Yes, the CT2 terminus is an amide.  Methylamide is CT3, but for whatever reason 
we didn't port that over.  It's easy to add yourself if that's what you prefer.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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