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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Received on Mon Apr 26 2004 - 17:53:00 PDT
