Re: AMBER: all_amino03.in discrepancy

From: Dr. Yong Duan <yduan.albert.chem.udel.edu>
Date: Mon, 21 Jun 2004 12:41:03 -0400 (EDT)

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
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Jun 21 2004 - 17:53:00 PDT
Custom Search