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# Project Tracker Status Priority Subject Assignee Updated Target version
620 GROMACS Bug Closed Normal Total dipole in energy files is incorrect 12/28/2012 08:15 PM GROMACS - 4.6
847 GROMACS Bug Rejected Normal tpbconv with index file can produce incorrect tpr files 12/29/2012 12:18 AM GROMACS - 4.6
1170 GROMACS Task New Normal mdlib reorganization 11/17/2016 03:47 PM GROMACS - future
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
2036 GROMACS Feature Closed Normal gmx solvate should work with molecules 08/23/2016 03:25 PM GROMACS - 2018
2060 GROMACS Feature New Normal Convert enum to enum class 10/17/2016 05:27 PM
2068 GROMACS Feature New Normal Access to low level classes 03/02/2019 01:37 AM GROMACS - future
2111 GROMACS Feature In Progress Normal Implement Gaussian screening of electrostatics 02/23/2019 12:33 PM
2132 GROMACS Feature New Normal Intermediate code for xvg handling 03/08/2017 05:12 PM GROMACS - future
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
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/28/2019 10:50 AM GROMACS - future
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
2843 GROMACS Bug Closed Normal Building with GMX_BUILD_OWN_FFTW 01/28/2019 04:38 PM GROMACS - 2020
2862 GROMACS Bug Closed Normal Division by zero in restrained dihedrals 02/28/2020 09:13 AM GROMACS - 2020.1
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 PM
720 GROMACS Feature Accepted Low permit pdb2gmx to choose a kind of HIS based on proton position 11/17/2016 03:51 PM GROMACS - future
2568 GROMACS Bug New Low gmx editconf -rotate does not rotate the box 07/10/2018 10:27 AM GROMACS - future
900 GROMACS Bug Closed High crash in OpenMP code. Berk Hess 06/23/2012 06:46 PM GROMACS - 4.6
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
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
741 GROMACS Bug Closed Normal tpbconv can not read cpt file Berk Hess 06/29/2011 06:27 AM
901 GROMACS Bug Closed Normal Dispersion correction incorrect with energy minimization Berk Hess 04/26/2012 08:27 PM GROMACS - 4.5.6
1272 GROMACS Bug Closed Normal Energy minimization with domain decomposition crashes Berk Hess 06/16/2015 11:50 PM
1343 GROMACS Bug Closed Normal vsiten particles are not integrated Berk Hess 09/29/2013 03:53 PM GROMACS - 5.0
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
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
50 GROMACS Bug Closed High grompp -check14 SEGVs David van der Spoel 02/28/2006 09:51 AM GROMACS - 3.3
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
60 GROMACS Bug Closed High genion mixes up ions David van der Spoel 03/30/2006 10:28 AM GROMACS - CVS
63 GROMACS Bug Closed High eneconv produces NaN David van der Spoel 08/21/2006 01:09 PM GROMACS - 3.3
66 GROMACS Bug Closed High graph problem with distance restraints David van der Spoel 04/14/2007 03:24 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
69 GROMACS Bug Closed High x2top improvements David van der Spoel 08/20/2006 02:43 PM 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
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
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
103 GROMACS Bug Closed High Possible problems in g_sas David van der Spoel 09/21/2007 02:02 PM GROMACS - 3.3.1
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
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
206 GROMACS Bug Closed Normal Protein atom naming in pdb files incorrect David van der Spoel 10/08/2008 02:38 AM GROMACS - CVS
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
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
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
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
713 GROMACS Bug Closed Normal MD with polarization does not work in parallel David van der Spoel 01/04/2012 01:21 PM
743 GROMACS Bug Closed Normal Angular momentum removal incorrect David van der Spoel 03/05/2012 11:27 AM GROMACS - 4.5.6
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
1354 GROMACS Bug New Normal Constant acceleration NEMD is broken. David van der Spoel 01/09/2019 04:42 PM
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