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# Project Tracker Status Priority Subject Assignee Updated Target version
214 GROMACS Bug Closed Normal Configure fails in 64 bit Erik Lindahl 10/08/2008 07:11 AM GROMACS - 4.0_rc1
206 GROMACS Bug Closed Normal Protein atom naming in pdb files incorrect David van der Spoel 10/08/2008 02:38 AM GROMACS - CVS
181 GROMACS Bug Closed Normal Pressure scaling distorts dodecahedron boxes Erik Lindahl 02/18/2016 11:59 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
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
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 PM
2866 GROMACS Feature New Normal Alternative non-bonded potentials David van der Spoel 03/05/2019 03:50 PM GROMACS - future
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 03/29/2019 05:20 PM GROMACS - 2020
2545 GROMACS Feature New Normal Should grompp fix periodicity of input files? David van der Spoel 10/03/2018 11:32 PM GROMACS - future
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
2272 GROMACS Feature Closed Low pdb2gmx does not accept tips3p as a water model David van der Spoel 11/28/2017 05:59 PM GROMACS - 2018
2132 GROMACS Feature New Normal Intermediate code for xvg handling 03/08/2017 05:12 PM GROMACS - future
2111 GROMACS Feature In Progress Normal Implement Gaussian screening of electrostatics 02/23/2019 12:33 PM
2068 GROMACS Feature New Normal Access to low level classes 03/02/2019 01:37 AM GROMACS - future
2060 GROMACS Feature New Normal Convert enum to enum class 10/17/2016 05:27 PM
2036 GROMACS Feature Closed Normal gmx solvate should work with molecules 08/23/2016 03:25 PM GROMACS - 2018
2034 GROMACS Feature New Normal Unit tests for bonded forces David van der Spoel 06/29/2019 10:22 AM GROMACS - future
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
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
1564 GROMACS Feature Closed Low g_gyrate help text and manual is confusing David van der Spoel 07/11/2016 07:47 PM GROMACS - 5.0.7
1524 GROMACS Feature Closed Low More uniform options to programs. David van der Spoel 08/17/2016 02:25 PM
1498 GROMACS Feature New Low g_dipoles does not work properly with ionic systems David van der Spoel 07/11/2016 08:11 PM
1377 GROMACS Feature Feedback wanted Low Replica exchange if replicas not in ascendent T David van der Spoel 06/23/2016 03:48 PM
879 GROMACS Feature Closed Low Normal modes with vsites and/or shells does not work David van der Spoel 07/11/2016 08:28 PM GROMACS - 2016
846 GROMACS Feature Closed Low Warning messages should be added to programs reducing the precision of coordinates/velocities etc. David van der Spoel 07/11/2016 08:44 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
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 02/13/2019 08:17 PM GROMACS - 2020
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/08/2018 08:06 PM GROMACS - 2020
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 PM
1345 GROMACS Task Closed Low Charmm - CMAP weirdness in grompp Erik Lindahl 07/15/2014 06:42 AM GROMACS - 5.0
1170 GROMACS Task New Normal mdlib reorganization 11/17/2016 03:47 PM GROMACS - future
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