Re: AMBER: all_amino03.in discrepancy

From: Vojtech Klusak <klusak.marilyn.uochb.cas.cz>
Date: Mon, 21 Jun 2004 11:36:09 +0200 (CEST)

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
Received on Mon Jun 21 2004 - 13:53:01 PDT
Custom Search