[gmx-users] Re: phase shifts during dihedral fitting

[maria goranovic]

giving this a bump .. any suggestions please ?

On Mon, Aug 2, 2010 at 12:39 PM, maria goranovic
<mariagoranovic at gmail.com>wrote:

> Friends
>
> Why are the phase shifts while making dihedral parameters always 0 or 180,
> for example near the unsaturated bond of a lipid ? I am trying to fit a
> function to a dihedral, and my phase shifts are more like 45 and 30 and 120
> degrees and the like. Is there any convenience behind using 0 or 180? How
> essential is that?
>
> --
> Maria G.
> Technical University of Denmark
> Copenhagen
>



-- 
Maria G.
Technical University of Denmark
Copenhagen
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