[gmx-users] ns_type=grid leads to blowups in minimization but not with ns_type=simple
dmobley at gmail.com
Wed Mar 22 21:09:49 CET 2006
> If there's no bugzilla there isn't a bug. Please upload two tpr files
> with the only difference being the NS type that sow the mentioned behavior.
I will upload to bugzilla. I know there isn't an *existing* bug: I was
asking whether this was expected behavior (that is, if I should even
expect the NS type grid to work properly in minimization). I take it
the answer is that no, this is not expected behavior.
> > Thanks,
> > David
> > _______________________________________________
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> David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596, 75124 Uppsala, Sweden
> phone: 46 18 471 4205 fax: 46 18 511 755
> spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
> gmx-users mailing list gmx-users at gromacs.org
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