AMBER Archive (2005)

Subject: AMBER: running shell scripts in tleap?

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Mon Feb 14 2005 - 16:23:44 CST


Dear amber community,

I was wondering if it is possible to run C or Bash
shell scripts in tleap to do a variety of hundreds of
things on a single ligand. For instance, I would like
to rotate a dihedral angle about 360 degrees by
incrementing the torsion angle at 1 degree intervals
and saving a pdb file for each increment.

Best regards,

Jenk

        
                
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