AMBER Archive (2006)

Subject: AMBER: Question about LEAP and twisting a dihedral angle

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Sat Sep 02 2006 - 20:52:45 CDT

Dear All,

In xleap, we can twist a particular dihedral angle. I was wondering how I
can do this in command line. The impose command does not work; it somehow
changes the external coordinates of all of the atoms. Thanks in advance.

Best, 

-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
  - University of Rochester      -				-
  - Hutchison Hall, # B10        -				-
  - Rochester, NY 14627-0216     - Ph.:(585) 275 67 66 (Office)	-
  - http://www.pas.rochester.edu/~yildirim/			-
  ---------------------------------------------------------------

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