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

From: Mark Williamson <>
Date: Fri, 26 Mar 2010 15:15:31 -0700

Tyler Luchko wrote:
> Hello,
> 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.
> Tyler

Yes, there is an issue here. I'm preparing a patch now. Thanks for the
heads up.



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Received on Fri Mar 26 2010 - 15:30:04 PDT
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