AMBER Archive (2008)

Subject: Re: AMBER: FAD RESP charges and parameters

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Tue Dec 30 2008 - 02:45:01 CST

Dear Jenk,

> I was wondering if RESP charges and parameters for FAD only (but
> not FADH or FADH2) has been posted somewhere in AMBER parameters
> database? or do i need to generate my own RESP charges and
> parameters for FAD?

http://en.wikipedia.org/wiki/FAD

We can provide you FXD(H)(P); X = DNA & RNA nucleosides

Not yet available in R.E.DD.B.
Data for either the Duan et al. FF (ff03) or for the Cornell et al. FF
(parm94 -> parm99)

Just tell me what you need.

regards, Francois

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