[AMBER-Developers] state.f and debug.f

From: Tyler Luchko <tluchko.rci.rutgers.edu>
Date: Fri, 26 Mar 2010 17:57:32 -0400


In the transition to using state.f it looks like debug.f was missed.
There are no tests I am aware of for the debug facility but when I run
my own test case all of the energy entries are zero and the numerical
forces are zero. Debug.f is still passing an array when it calls
force(), which is likely the cause of the problem.


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Received on Fri Mar 26 2010 - 15:00:04 PDT
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