AMBER: Removal of Rotational and Translational Motion in AMBER6

From: Richard Smith <dicksmit.umich.edu>
Date: Mon, 27 Oct 2003 15:51:59 -0500

Hi,

 

    I am using periodic boundary conditions in sander_classic for
AMBER6. I was wondering if threre was a way in AMBER6 to remove
translational and rotational movements throughout the simulation, and
not just at the beginning of a run, as the NSCM variable is ignored for
periodic boundary conditions.

 

Thank you for your help,

Richard Smith

     





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Received on Mon Oct 27 2003 - 21:53:00 PST
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