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# Project Tracker Status Priority Subject Assignee Updated Target version
53 GROMACS Bug Closed High Angle definitions maybe wrong in g_chi David van der Spoel 04/02/2006 05:11 PM GROMACS - 3.3
80 GROMACS Bug Closed High bug in avcsix calculation for dispersion correction David van der Spoel 05/11/2006 08:43 AM GROMACS - 3.3.1
900 GROMACS Bug Closed High crash in OpenMP code. Berk Hess 06/23/2012 06:46 PM GROMACS - 4.6
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
63 GROMACS Bug Closed High eneconv produces NaN David van der Spoel 08/21/2006 01:09 PM GROMACS - 3.3
7 GROMACS Bug Closed High Environment variable IAMCOOL crashes program luck David van der Spoel 09/05/2005 05:39 PM GROMACS - 3.3_rc1
60 GROMACS Bug Closed High genion mixes up ions David van der Spoel 03/30/2006 10:28 AM GROMACS - CVS
66 GROMACS Bug Closed High graph problem with distance restraints David van der Spoel 04/14/2007 03:24 PM GROMACS - 3.3.1
50 GROMACS Bug Closed High grompp -check14 SEGVs David van der Spoel 02/28/2006 09:51 AM GROMACS - 3.3
71 GROMACS Bug Closed High grompp takes excessive time for large systems David van der Spoel 07/21/2007 03:11 PM GROMACS - 3.3.1
67 GROMACS Bug Closed High g_rdf has GROMOS atom names hardocoded David van der Spoel 08/21/2006 01:28 PM GROMACS - 3.3.1
85 GROMACS Bug Closed High mdrun with PME gives different results with MPI David van der Spoel 09/11/2007 12:07 PM GROMACS - 3.3.1
45 GROMACS Bug Closed High pdb2gmx crashes when force field files in workdir David van der Spoel 02/28/2006 01:58 PM GROMACS - 3.3
103 GROMACS Bug Closed High Possible problems in g_sas David van der Spoel 09/21/2007 02:02 PM GROMACS - 3.3.1
2844 GROMACS Bug Closed High Test SEGV with -DGMX_DOUBLE due to LAPACK David van der Spoel 02/05/2019 07:01 PM GROMACS - 2020
69 GROMACS Bug Closed High x2top improvements David van der Spoel 08/20/2006 02:43 PM GROMACS - 3.3.1
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
743 GROMACS Bug Closed Normal Angular momentum removal incorrect David van der Spoel 03/05/2012 11:27 AM GROMACS - 4.5.6
2843 GROMACS Bug Closed Normal Building with GMX_BUILD_OWN_FFTW 01/28/2019 04:38 PM GROMACS - 2020
214 GROMACS Bug Closed Normal Configure fails in 64 bit Erik Lindahl 10/08/2008 07:11 AM GROMACS - 4.0_rc1
1860 GROMACS Bug Closed Normal convert-tpr messes up gmx_mtop_t structure David van der Spoel 11/24/2015 06:22 PM GROMACS - 5.1.2
274 GROMACS Bug Closed Normal Crashes in mdrun with DD code, not sequential Berk Hess 01/06/2009 03:35 PM GROMACS - 4.0_rc1
1645 GROMACS Bug Closed Normal Difference in energy with Verlet scheme due to PME dipole correction David van der Spoel 06/22/2015 06:03 PM GROMACS - 4.6.8
901 GROMACS Bug Closed Normal Dispersion correction incorrect with energy minimization Berk Hess 04/26/2012 08:27 PM GROMACS - 4.5.6
2862 GROMACS Bug Closed Normal Division by zero in restrained dihedrals 02/28/2020 09:13 AM GROMACS - 2020.1
440 GROMACS Bug Closed Normal Double precision man pages are installed as program_d.1 David van der Spoel 09/01/2010 10:22 PM GROMACS - CVS
520 GROMACS Bug Closed Normal Editconf with index can not do other things David van der Spoel 08/31/2010 10:42 AM GROMACS - CVS
1272 GROMACS Bug Closed Normal Energy minimization with domain decomposition crashes Berk Hess 06/16/2015 11:50 PM
1510 GROMACS Bug Closed Normal gmx check and gmx dump do not work for tng files Magnus Lundborg 07/15/2014 06:45 AM GROMACS - 5.0
3386 GROMACS Bug Closed Normal gmx disre crashed when number of pairs larger than number of restraints David van der Spoel 02/18/2020 10:17 PM GROMACS - 2019.6
1996 GROMACS Bug Closed Normal gmx dos does not work at all David van der Spoel 06/27/2016 07:27 PM GROMACS - 5.1.3
1473 GROMACS Bug Closed Normal gmx energy -driftcorr broken. David van der Spoel 07/11/2016 07:48 PM
2815 GROMACS Bug Closed Normal gmx msd -mol broken David van der Spoel 12/26/2018 11:39 AM GROMACS - 2020
2119 GROMACS Bug Closed Normal gmx solvate -shell does not add anything David van der Spoel 12/11/2017 12:17 PM
2036 GROMACS Feature Closed Normal gmx solvate should work with molecules 08/23/2016 03:25 PM GROMACS - 2018
1884 GROMACS Bug Closed Normal gmx_output_env_t not visible from trajectoryanalysis modules David van der Spoel 12/28/2015 06:16 PM GROMACS - 5.1.2
1630 GROMACS Bug Closed Normal grompp allows to specify vdwtype = PME and dispcorr != no David van der Spoel 10/24/2014 02:32 PM GROMACS - 5.0.3
224 GROMACS Bug Closed Normal grompp does not process encads topologies correctly Erik Lindahl 10/08/2008 05:40 PM GROMACS - 4.0_rc1
564 GROMACS Bug Closed Normal g_dipoles has a memory hole David van der Spoel 09/20/2010 01:51 PM GROMACS - 4.5.1
972 GROMACS Bug Closed Normal g_hbond crashes with openmp and -ac David van der Spoel 11/11/2012 02:01 PM GROMACS - 4.5.6
1183 GROMACS Bug Closed Normal g_mindist -pi bug with triclinic boxes David van der Spoel 12/16/2013 05:40 PM GROMACS - 4.5.7
523 GROMACS Bug Closed Normal g_rms gives nonsense values when the number of atoms differs between tpr and xtc David van der Spoel 08/31/2010 12:06 PM GROMACS - CVS
3384 GROMACS Bug Closed Normal Inconsisten labels in distance restraints can crash gmx disre David van der Spoel 02/24/2020 03:36 PM GROMACS - 2019.6
1859 GROMACS Bug Closed Normal make_ndx does not work David van der Spoel 01/12/2016 04:23 PM GROMACS - 5.1.2
713 GROMACS Bug Closed Normal MD with polarization does not work in parallel David van der Spoel 01/04/2012 01:21 PM
1156 GROMACS Bug Closed Normal mdrun -nt > 1 crashes with old tpr Michael Shirts 12/16/2013 05:39 PM GROMACS - 4.6.1
608 GROMACS Bug Closed Normal Molecules with large charge groups give wrong neighborlist David van der Spoel 11/02/2010 06:18 PM GROMACS - 4.0.7
1249 GROMACS Bug Closed Normal no-PBC no-cutoff is broken with SIMD group kernels in 4.6.1 Erik Lindahl 03/04/2015 10:47 PM GROMACS - 4.6.x
2720 GROMACS Bug Closed Normal Normal-mode analysis with vsites or shells works for first molecule of each type only 11/28/2018 03:33 PM
579 GROMACS Bug Closed Normal nstcalcenergy = -1 leads to wrong pressure Erik Lindahl 10/05/2010 12:43 PM GROMACS - 4.5.1
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