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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Received on Wed Jan 08 2014 - 20:00:03 PST
