On Sun, Dec 05, 2010, Kshatresh Dutta Dubey wrote:
>
> I am interested in metadynamic simulation of a huge protein containing more
> than 200,000 atoms. Recently, i saw a reply where adaptively biased
> molecular dynamics is stated for this purpose. I am presently using Amber
> 10. Can i use this program for this system?
Metadynamics is an advanced application, and one you should not try until you
are sure you can run successful (and long) regular dynamics simulations on
your system.
If you are new to Amber (and/or simulations in general), gaining experience
with smaller systems first is highly recommended.
...dac
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Received on Sun Dec 05 2010 - 07:30:03 PST
