RE: amber-developers: dsum_tol and shake tolerance on energy conservation (another example)

From: Ross Walker <>
Date: Wed, 10 Sep 2008 10:00:25 -0700

> I merely tried to say that the "best" choice of parameters may be
> system-specific.

Sure, but while energy loss is still occurring it is not 'as severe' as with
the defaults. So does anybody else want to comment here. Is there any
arguments for why we should NOT CHANGE the default behavior for AMBER 11?
Other than that it won't 'perfectly' match previous behavior?

All the best
Received on Thu Sep 11 2008 - 08:42:02 PDT
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