AMBER Archive (2008)

Subject: Re: AMBER: Dihedral Drive

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Sat Sep 20 2008 - 03:07:07 CDT

Check out the 'impose' command of xleap. Using that, you can change any
bond distance, angle, and any torsional angles.

On Sat, 20 Sep 2008, Hashem Taha wrote:

> Hi All,
> My problem is that I would like to perform a dihedral drive (from -180 to
> 160 by 20 degree increments) in a particular molecule, and I want to
> generate PDB files for each of the 20 degree increments. Is there any way I
> could do this using Leap ??? If not, any one know of any other program I
> could use to get this done?
> 

-- 
  Ilyas Yildirim, Ph.D.
  ---------------------------------------------------------------
  = Hutchison Hall B#10          - Department of Chemistry      =
  =                              - University of Rochester      =
  = 585-275-6766 (office)        -                              =
  = http://www.pas.rochester.edu/~yildirim/                     =
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