On Fri, May 12, 2006, nadiav.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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun May 14 2006 - 06:07:14 PDT
