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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Received on Mon Feb 14 2005 - 22:53:00 PST
