AMBER Archive (2005)

Subject: Re: AMBER: dihedral term in prmtop file

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Jul 28 2005 - 09:59:36 CDT

Ye Mei wrote:

>Dear amber users£¬
>
>I feel puzzled with the negative term in the FLAG "DIHEDRALS_INC_HYDROGEN", like
> 15 12 18 21 1 15 12 -18 21 2
> 12 18 24 27 3 9 3 12 15 10
> 9 3 -12 15 11 9 3 12 18 3
> 6 3 12 15 10 6 3 -12 15 3
> 6 3 -12 15 11 6 3 12 18 3
> 3 12 18 21 2 0 3 12 15 10
> 0 3 -12 15 3 0 3 -12 15 11
>Would anybody tell me what the negative terms represent?
>¡¡¡¡¡¡¡¡¡¡
>
look at the file formats page on the amber web page.
it describes the different types of negative numbers
used. the negative means different things in different
places.

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