AMBER Archive (2005)

Subject: Re: AMBER: parameters in gaff.dat

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 15 2005 - 15:31:56 CDT

On Fri, Apr 15, 2005, Lihua Wang wrote:
>
> Thanks for your reply. So you are saying atoms pairs such as nc/nd and
> cc/cd are of the same type, but in the context of bond angles and
> torsions, they are different due to conjugation (conjugated single or
> conjugated double bond)?

That sounds about right...the full explanation is in the paper cited.

...dac

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