Hi Ambers,
I'd like to assemble a collection of cofactors having AMBER atom types
and charges. Has anyone done a rigorous qm calculation for any of the
following?:
cAMP, cGMP, porphin, ADP, GDP, ATP<GTP, protophorphyrinIX, heme, NAD,
NADP, FAD, FADhH, others? Where might parameter sets to use?
Thank you,
Mike
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Received on Mon Aug 29 2005 - 21:53:04 PDT
