AMBER Archive (2009)

Subject: Re: [AMBER] Specifying improper dihedrals

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Wed Jun 17 2009 - 12:56:20 CDT

On Wed, Jun 17, 2009, Mark Williamson wrote:

> In short, my solution was to reverse the atom index
> order in the dihedral:
>
>
> 20088 20094 20091 -0 44
>
> would become
>
> 0 20091 20094 -20088 44 <---dac change

I've corrected(!?!) Mark's email concerning the revised dihedral. [Mark
still had a "-0" and no negative sign for the fourth atom....]

...dac

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