Dear Mary Varughese,
> 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.
You could use R.E.D. III.5 or R.E.D. Server/R.E.D. IV, selecting the
RESP-A1 or RESP-A1A charge model, respectively.
See
http://q4md-forcefieldtools.org/REDS/popup/popkeyword.php
regards, Francois
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Received on Tue Feb 21 2012 - 09:00:02 PST
