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Hello, Linda:
Thanks for your advices !
Regards
Bo Yang
On Tue, 22 Jun 2004 15:12:00 -0400 (EDT) "Linda Prengaman" wrote:
> I'm not sure what your computational system for running MD is like, but in
> general I would say yes, so long a running time is to be expected.
> Reducing the size of the periodic box may help, as well as reducing the
> cutoff. However, reducing these may affect the accuracy of your
> simulation. You could cut down the number of steps you are running the
> system for, depending on how long it takes your system to stablize itself
> (Etot should hover around the same value). I'm not sure I can offer any
> advice about the confirmational changes your system is going through, but
> you might want to double check everything. Good luck.
> Linda Prengaman
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Received on Wed Jun 23 2004 - 00:39:31 PDT
