AMBER: EWALD and belly not strictly correct

From: Stern, Julie <jvstern.bnl.gov>
Date: Wed, 16 Feb 2005 00:41:49 -0500

Hello,
   I'm freezing atoms using the belly option and running a minimization.
The
min.out file contained this warning:

Warning: Although EWALD will work with belly
(for equilibration), it is not strictly correct!

   So, what does this mean? Why isn't it correct?


Thanks.

--Julie
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Received on Wed Feb 16 2005 - 05:53:00 PST