Subject: CCL: Autodock: how to minimize the protein structure alone]

From: "Q.Z." <qzou_at_iupui.edu>
Date: Mon, 19 May 2003 16:47:22 -0500

let me try again using CCL: header.

Subject: Autodock: how to minimize the protein structure alone
From: "Q.Z." <qzou_at_iupui.edu>
To: chemistry_at_ccl.net
Date: Mon, 19 May 2003 16:16:51 -0500

Dear all,
  I am trying to use the same force field that is used for  the autodock
to minimize the protein structure before docking. The autodock 3.0
manual shows that there is an option of " do-local-only" for the
autodock3 command. But I was not sure that is to only minimize the
protein or the protein-ligand complex or just the ligand.  Also is there
a similar option in ADT interface? Thanks.

Q.  Zou, Ph D.
Indiana University Schl. of Med.