[AMBER] partial atomic charges

From: Mary Varughese <maryvj1985.gmail.com>
Date: Tue, 21 Feb 2012 15:10:54 +0530

Sir,
I am intending to use ff99SB and gaff in amber11 for a protein ligand
complex. Using gaussian03 which QM level and methods have to be used for
geometry optimization and esp calculation. 

-- 
Mary Varughese
Research Scholar
School of Pure and Applied Physics
Mahatma Gandhi University
India
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Received on Tue Feb 21 2012 - 02:00:02 PST
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