Hi,
On Mon, Aug 5, 2013 at 9:54 AM, Krati Sharma <krati84.gmail.com> wrote:
> FATAL: Atom .R<LY 703>.A<N 1> does not have a type.
"LY" is not a standard amino or nucleic acid and as such there are no
residue templates for it in the force field parameter set. You will
have to find or derive the parameters for it and load them into LEaP
prior to loading the PDB containing it. Amber tutorials B4 and A1
(
http://ambermd.org/tutorials/) may help, and also check out the tools
provided by R.E.D. server: http://q4md-forcefieldtools.org/REDS/
Hope this helps,
-Dan
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Mon Aug 05 2013 - 09:30:03 PDT
