AMBER Archive (2004)

Subject: Re: AMBER: amber8 performance problem on Itanium II's

From: Sergio E. Wong (swon9_at_itsa.ucsf.edu)
Date: Fri Sep 17 2004 - 13:23:18 CDT

> for nucleic acids). You simulation should be much faster by setting
> e.g. rgbmax=12 A and cut= 15 A. See the manual, around page 99.
> With the above settings, your MD should run faster than with amber7
> (I hope).

Yes it runs much faster than before (still a bit slower the amber7 but
only by 50% rather than 4 times slower). Thank you for your help

-Sergio
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