AMBER Archive (2004)

Subject: AMBER: neutral residues

From: Mikyung Seo (seo_at_ualberta.ca)
Date: Mon Apr 26 2004 - 11:33:04 CDT

Dear Amber users,

There are neutral amino acid residues (ex.ASH,GLH) and protonated
histidine(HIP) in LEaP libraries.
Does anybody know how the charges for these residues are calculated with
Gaussian?
Can you tell any references for calculating charges?

Thanks.
Mikyung

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