AMBER Archive (2009)
Subject: [AMBER] What are the elements to speed up the simulation?

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Tue May 19 2009 - 17:17:07 CDT

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In reply to: David A. Case: "Re: [AMBER] How to setup the pH value?"
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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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Previous message: David A. Case: "Re: [AMBER] How to setup the pH value?"
In reply to: David A. Case: "Re: [AMBER] How to setup the pH value?"
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]