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From: "Carsten Detering" <detering /at\u.washington.edu>
To: <chemistry(+ at +)ccl.net>
Subject: reduction of van der Waals forces
Date: Mon, 8 Jul 2002 19:32:10 +0200
Organization: University of Washington
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Hi CCLers,

I wonder if it is possible in InsightII to gradually reduce the van der
Waals forces in an optimization job.
I have an NMR structure of a chunk of RNA with a ligand, but the structure
has some bad contacts, hence I have problems docking the ligand in its
pocket.
Any suggestions are glady appreciated.
Thanks a lot in advance

Carsten

~~~~~~~~~~~~~~~~~~~~~~~~~~~
Carsten Detering
University of Washington
Seattle, WA 98195
email detering {*at*} u.washington.edu
~~~~~~~~~~~~~~~~~~~~~~~~~~~