[AMBER] What are the elements to speed up the simulation?

From: Chih-Ying Lin <chihying.usc.edu>
Date: Tue, 19 May 2009 23:17:07 +0100

Hi
What are the elements to speed up the simulation?

increase the time step? => larger than 0.002 ps ?

make the constraints ? => SHAKE algorithm?


Thank you
Lin

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Received on Wed May 20 2009 - 17:32:39 PDT