AMBER Archive (2008)

Subject: AMBER: new residues in AMOEBA

From: Grange Hermitage (ghermitage_at_gmail.com)
Date: Thu Aug 21 2008 - 02:14:59 CDT

Could someone describe a procedure for deriving AMOEBA parameters for new
protein residues?

I see that the force field was derived using Gaussian, GDMA and ESTAR, but
perhaps someone could suggest a bit more detail?

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