AMBER Archive (2006)

Subject: Re: AMBER: another question: is rms 2E-2 good for nmode ntrun=1?

From: David A. Case (case_at_scripps.edu)
Date: Fri May 12 2006 - 12:01:05 CDT

On Fri, May 12, 2006, nadiav_at_soton.ac.uk wrote:
>
> Just noticed this communication, and that you are intending to run NMA on a
> system of 6420 atoms. I had the impression that nmode (amber 8) is limited
> to 5600 atoms?? is that correct?

This is the default, but can be easily changes by modifying a header file.
But you will need lots of memory for big systems. Search the mail archives
for a discussion of this point.

...dac

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