Hi,
As long as the atom ordering is the same between the "R" and "S" forms you
should be able to use the same topology.
-Dan
On Wed, Jan 8, 2014 at 8:48 PM, Vijay Manickam Achari
<vjrajamany.yahoo.com>wrote:
> Dear Sir,
>
> I have modelled a glycolipid molecule with sugar and two alkylchains. At
> the chain branching point there is a chiral center. I have used antechamber
> & glycam to generate a topology file for hat molecule.
>
> When I checked the modelcule with GAUSSVIEW, I notice it has "R" type
> stereochemistry. I used a tool called "invert" in the GAUSSVIEW software
> to model a "S" type stereochemical molecule.
>
> Now I want to generate a topology for the "S" type molecule.
>
> My question is can I use the same topology as I used for "R" type molecule
> for this new molecule or else I need to generate start from scratch?
>
>
> Many thanks in advance.
>
> Regards
>
>
> Vijay Manickam Achari
> (Phd Student)
> Chemistry Department,
> University of Malaya,
> Malaysia
> vjramana.gmail.com
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--
-------------------------
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) 585-6208 (Fax)
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Received on Thu Jan 09 2014 - 09:00:02 PST
