AMBER Archive (2004)

Subject: Re: AMBER: all_amino03.in discrepancy

From: Dr. Yong Duan (yduan_at_albert.chem.udel.edu)
Date: Mon Jun 21 2004 - 11:41:03 CDT

My apology!
I will update it soon and will let you know.

yong

On Mon, 21 Jun 2004, Vojtech Klusak wrote:

>
> Hi,
> I am preparing input for amber 8 using ff03. I have found that charges for
> 'LYSINE neutral' in 'all_amino03.in' file are THE SAME as in
> 'all_amino94.in' file. Whereas the other amino acids differ (as one
> would expect reading the manual).
>
> Is that an intention?
> Is that a mistake?
> If yes, where do I find correct charges?
>
> Thanks for any advise,
>
> Vojta
>
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