Re: [AMBER-Developers] lmod xmin problems with sander and sqm

From: <istvan.kolossvary.hu>
Date: Fri, 11 Dec 2009 17:57:49 +0100

> Sorry: I wasn't being explicit enough: I seem to have examples where
> TCNG uses significantly *more* minimization steps (as counted by xmin_iter)
> than LBFGS does. Let me put together some test cases, then you can look
> at them and see what you think.

OK, in that case it is odd. I'll look at the test cases.

    Istvan


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Received on Fri Dec 11 2009 - 09:00:04 PST
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