AMBER Archive (2005)Subject: AMBER: EWALD and belly not strictly correct
From: Stern, Julie (jvstern_at_bnl.gov)
Date: Tue Feb 15 2005 - 23:41:49 CST
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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