Re: [AMBER] Amber10 parallel test

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 4 May 2012 08:14:13 -0400

On Fri, May 04, 2012, Shaandar Nyamtulga wrote:
>
>
> What is number of groups?

Search for "multisander" in the Amber12 Reference Manual (or earlier
versions). "Groups" are used in a variety of types of calculations. For
some applications (like thermodynamic integration or EVB) the number of
groups is 2; for other calculations the number of groups can be variable.

...dac


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Received on Fri May 04 2012 - 05:30:05 PDT
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