On 2012-11-29 20:04, Tim Vandermeersch wrote: > Hi, > > I recently added the smiley test, this is still experimental and I have > to check it on more platforms etc. So don't worry about this one. > > I have no idea why the MMFF94 test fails though. I assume you were not > wroking on the force field code?
No I'm not... I wonder how one can check the output? I'd like to make some gaussian processing tests. > > Tim > > On Thu, Nov 29, 2012 at 7:49 PM, David van der Spoel > <sp...@xray.bmc.uu.se <mailto:sp...@xray.bmc.uu.se>> wrote: > > Hi, > > I ran the tests in the latest trunk and got > > The following tests FAILED: > 14 - smiley_Test (Failed) > 37 - ffmmff94_Test (Failed) > > any clue? > > -- > David van der Spoel, Ph.D., Professor of Biology > Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205 > <tel:%2B46184714205>. > sp...@xray.bmc.uu.se <mailto:sp...@xray.bmc.uu.se> > http://folding.bmc.uu.se > > > ------------------------------------------------------------------------------ > Keep yourself connected to Go Parallel: > VERIFY Test and improve your parallel project with help from experts > and peers. http://goparallel.sourceforge.net > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > <mailto:OpenBabel-Devel@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. sp...@xray.bmc.uu.se http://folding.bmc.uu.se ------------------------------------------------------------------------------ Keep yourself connected to Go Parallel: TUNE You got it built. Now make it sing. Tune shows you how. http://goparallel.sourceforge.net _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
