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# Project Tracker Status Priority Subject Assignee Updated Target version
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
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
103 GROMACS Bug Closed High Possible problems in g_sas David van der Spoel 09/21/2007 02:02 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
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
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
69 GROMACS Bug Closed High x2top improvements David van der Spoel 08/20/2006 02:43 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
66 GROMACS Bug Closed High graph problem with distance restraints David van der Spoel 04/14/2007 03:24 PM GROMACS - 3.3.1
63 GROMACS Bug Closed High eneconv produces NaN David van der Spoel 08/21/2006 01:09 PM GROMACS - 3.3
60 GROMACS Bug Closed High genion mixes up ions David van der Spoel 03/30/2006 10:28 AM GROMACS - CVS
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
50 GROMACS Bug Closed High grompp -check14 SEGVs David van der Spoel 02/28/2006 09:51 AM GROMACS - 3.3
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
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
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
900 GROMACS Bug Closed High crash in OpenMP code. Berk Hess 06/23/2012 06:46 PM GROMACS - 4.6
1156 GROMACS Bug Closed Normal mdrun -nt > 1 crashes with old tpr Michael Shirts 12/16/2013 05:39 PM GROMACS - 4.6.1
1864 GROMACS Feature New Normal write tng files with energies Magnus Lundborg 07/11/2016 08:00 PM
1863 GROMACS Feature Closed Normal write tng files with velocities from mdrun Magnus Lundborg 07/11/2016 08:01 PM GROMACS - 2016
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
1502 GROMACS Bug Closed Normal trjconv incorrect tng defaults Magnus Lundborg 06/05/2014 04:48 PM GROMACS - 5.0
1469 GROMACS Bug Closed Normal sizeof call generates compilation error in src/gromacs/simd/impl_x86_sse2/impl_x86_sse2.h Erik Lindahl 04/03/2014 07:36 PM GROMACS - 5.0
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
579 GROMACS Bug Closed Normal nstcalcenergy = -1 leads to wrong pressure Erik Lindahl 10/05/2010 12:43 PM GROMACS - 4.5.1
434 GROMACS Bug Closed Normal pdb2gmx opens all rtp files Erik Lindahl 06/14/2010 03:42 PM GROMACS - CVS
224 GROMACS Bug Closed Normal grompp does not process encads topologies correctly Erik Lindahl 10/08/2008 05:40 PM GROMACS - 4.0_rc1
214 GROMACS Bug Closed Normal Configure fails in 64 bit Erik Lindahl 10/08/2008 07:11 AM GROMACS - 4.0_rc1
181 GROMACS Bug Closed Normal Pressure scaling distorts dodecahedron boxes Erik Lindahl 02/18/2016 11:59 PM GROMACS - 3.3.1
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
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
3375 GROMACS Bug Closed Normal Orires consistency check too strict David van der Spoel 02/21/2020 08:14 AM GROMACS - 2019.6
2866 GROMACS Feature New Normal Alternative non-bonded potentials David van der Spoel 03/05/2019 03:50 PM GROMACS - future
2815 GROMACS Bug Closed Normal gmx msd -mol broken David van der Spoel 12/26/2018 11:39 AM GROMACS - 2020
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 12/27/2019 04:05 PM GROMACS - 2021
2641 GROMACS Bug Closed Normal Possible l-bfgs improvements David van der Spoel 04/05/2019 04:27 PM GROMACS - 2019.2
2545 GROMACS Feature New Normal Should grompp fix periodicity of input files? David van der Spoel 10/03/2018 11:32 PM GROMACS - future
2544 GROMACS Bug New Normal gmx rmsf does not fix periodicity in reference structure David van der Spoel 08/21/2018 10:36 AM GROMACS - future
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
2444 GROMACS Bug Rejected Normal Eneergy minimization crashes due to vsites David van der Spoel 03/13/2018 02:03 PM GROMACS - 2018.1
2119 GROMACS Bug Closed Normal gmx solvate -shell does not add anything David van der Spoel 12/11/2017 12:17 PM
2034 GROMACS Feature New Normal Unit tests for bonded forces David van der Spoel 06/29/2019 10:22 AM GROMACS - future
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
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
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
1859 GROMACS Bug Closed Normal make_ndx does not work David van der Spoel 01/12/2016 04:23 PM GROMACS - 5.1.2
1791 GROMACS Bug Closed Normal Spurious interactions that should not be there / Table routines work with 1/r leading to NaN. David van der Spoel 07/11/2016 08:34 PM
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
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
1473 GROMACS Bug Closed Normal gmx energy -driftcorr broken. David van der Spoel 07/11/2016 07:48 PM
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