Re: AMBER: phosphorylated DNA not recognized

From: FyD <>
Date: Thu, 3 Mar 2005 19:59:27 +0100

> How can I fix this in my leap script, I guess I need to add atoms to my
> unit Da5 or create a complete new unit - is that correct?
> Has someone already solved this?
> Some help on the way would be highly appreciated!

You need to developped a new unit compatible with the AMBER force field.
See Cieplak et al. J Comput Chem 1995 16 1357-1377

  F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
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Received on Thu Mar 03 2005 - 19:53:01 PST
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