AMBER Archive (2005)

Subject: AMBER: params for cofactors

From: Michael Dolan (mdolan_at_tripos.com)
Date: Mon Aug 29 2005 - 14:54:41 CDT

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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