Re: [AMBER] Specifying improper dihedrals

From: David A. Case <case.biomaps.rutgers.edu>
Date: Wed, 17 Jun 2009 18:56:20 +0100

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 09:56:04 PDT
Custom Search