AMBER Archive (2006)

Subject: Re: AMBER: Combine amber-force field and gaff94 for one molecule?

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Sun Nov 05 2006 - 12:30:27 CST

I do not think it can cause any complications.

Best regards.

Fenghui Fan

--- Michel Becker <michelbeacker_at_web.de> wrote:

>
>
> Dear AMBER users
>
> I would like to perform a MD with a covalently bound
> DNA-drug complex. amber 7 and 8 is available.
>
> For the DNA I will use the AMBER force field but I
> would like to employ simultaneously the gaff force
> field for the drug.
>
> Therefore, one bond, four angles and a few dihedral
> angles at the connection between both residues will
> exhibit amber atom types as well as gaff atom types.
>
>
> Does any complications result from that
> circumstance?
>
>
>
> Best regards
>
> Michel Beacker?
>
>
>
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