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

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Thu, 10 Dec 2009 22:35:15 -0500

Hi,

On Thu, Dec 10, 2009 at 05:48:26PM -0800, Andreas Goetz wrote:
> > Thanks for the info. Istvan and I spent all day today looking at
> > minimizations and lmod in both sander and sqm. I'll be checking some things
> > in soon. I think we have fixed the problems in sander (zero rms gradient,
> > bad results for the lmod tests) and fixed up other printouts.
>
> Thanks. Let me know when this is checked in and I will run the tests.

Several commits have been made; my guess is all of them.

thanks,
Scott


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Received on Thu Dec 10 2009 - 20:00:02 PST
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