[gmx-users] Where can i find the test cases for gromacs and such.
David van der Spoel
spoel at xray.bmc.uu.se
Thu Oct 6 08:50:47 CEST 2005
On Thu, 2005-10-06 at 01:18 -0400, Kai Zhuang wrote:
> hi all,
> I was discussing cluster biology software packages with a Computer
> Science professional.
> He made a good point that the software we use are really the same as
> real lab equipments, we have to be sure that they are caliberated and
> documented and that they work.
> So the question lead to the following:
> how is gromacs's tested? is there test cases that I can find
> anyone knows?
there is a test set (not completely up to date, i.e. not all tests pass)
that you can download using cvs:
cvs co tests
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> Kai Zhuang
> BioMedical Engineering @ University of Toronto
> kai dot zhuang at gmail dot 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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