AMBER Archive (2004)

Subject: RE: AMBER: neutral residues

From: Yong Duan (yduan_at_udel.edu)
Date: Mon Apr 26 2004 - 12:25:46 CDT

Which version of the force field and which version of AMBER?

yong

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Mikyung Seo
> Sent: Monday, April 26, 2004 12:33 PM
> To: amber_at_scripps.edu
> Subject: AMBER: neutral residues
>
>
> 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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