[gmx-users] gmxcheck -ab
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jan 12 00:25:42 CET 2006
Moore, Jonathan (J) wrote:
> Has anyone successfully used gmxcheck with the new -ab option?
> I got the gmxcheck source from CVS and stuck it in with my 3.3RC3 rather than recompiling everything.
> When I execute 'gmxcheck -s1 myfile.tpr -ab' I get output down to "Reading file myfile.tpr, VERSION 3.3_rc3 (single precision)" but then nothing else. It just hangs there. Maybe this is a bug or maybe I screwed something up when trying to stick the CVS gmxcheck into 3.3RC3.
If it hangs that's not good. I tested it on a normal tpr file and it
finishes quickly. Does it not print anything at all?
In that case please post a bugzilla.
> Jonathan Moore, Ph.D.
> Research and Engineering Sciences - New Products
> Core R&D
> The Dow Chemical Company
> 1702 Building, Office 4E
> Midland, MI 48674 USA
> Phone: (989) 636-9765
> Fax: (989) 636-4019
> E Mail: jmoore2 at dow.com
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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://xray.bmc.uu.se/~spoel
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