removing rotational motion in MD

From: Michael G Cooney <chemgc_at_panther.Gsu.EDU>
Date: Wed 9 Jan 2002 12:41:26 -0500 (EST)

Dear Amber users,

I wondered if there is a variable that can be set to remove rotational
motions in MD simulations over long (>2 ns) times for molecules such as
DNA oligos that have correlation times in this range. Perhaps I missed
this in the Amber manuals but would very much appreciate any suggestions
if there is an easy way to do this.

Thank you for your help.


Michael G. Cooney
Postdoctoral Associate
Dept. of Chemistry
Georgia State University
Atlanta, GA 30303
Received on Wed Jan 09 2002 - 09:41:26 PST
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