AMBER Archive (2004)

Subject: Re: AMBER: all_amino03.in discrepancy

From: Vojtech Klusak (klusak_at_marilyn.uochb.cas.cz)
Date: Mon Jun 21 2004 - 04:36:09 CDT


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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