On Fri, Apr 08, 2011, tommaso.casalini.mail.polimi.it wrote:
>
> 1) Which is the maximum number of atoms that Amber 10 can handle?
This depends on how much memory is available to you. The file formats have an
upper limit of a million atoms, but you may run out of memory before that.
Further, since large systems take a long time to equilibrate, and are slow to
run, the practical limit may also be determined by how much computer time you
have available.
>
> 2) Can I modify this value when compiling the program?
No. Memory is allocated dynamically, with no fixed upper limit.
...dac
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Received on Fri Apr 08 2011 - 06:00:15 PDT
