AMBER Archive (2007)

Subject: Re: AMBER: Dihedral driver

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Thu Jun 07 2007 - 15:16:15 CDT

Dear John,

I did not understand exactly what you want to do, but you can do the
following: use the 'impose' command of leap to change the dihedral from 0
to 359. This will generate 360 structures. You can analyze the energies of
each structure then. Good luck,

On Thu, 7 Jun 2007, Beale, John wrote:

> Is there any way that I can incrementally change torsion angles in a model structure while using Sander? I would like to be able to generate a series of minimum energy structures that differ with respect to rotation around a single torsion angle.
>
> John Beale
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-- 
  Ilyas Yildirim
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