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# Project Tracker Status Priority Subject Assignee Updated Target version
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
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
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/28/2019 10:50 AM GROMACS - future
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 12/27/2019 04:05 PM GROMACS - 2021
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
1377 GROMACS Feature Feedback wanted Low Replica exchange if replicas not in ascendent T David van der Spoel 06/23/2016 03:48 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
1524 GROMACS Feature Closed Low More uniform options to programs. David van der Spoel 08/17/2016 02:25 PM
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
1864 GROMACS Feature New Normal write tng files with energies Magnus Lundborg 07/11/2016 08:00 PM
2060 GROMACS Feature New Normal Convert enum to enum class 10/17/2016 05:27 PM
2111 GROMACS Feature In Progress Normal Implement Gaussian screening of electrostatics 02/23/2019 12:33 PM
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 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
1863 GROMACS Feature Closed Normal write tng files with velocities from mdrun Magnus Lundborg 07/11/2016 08:01 PM GROMACS - 2016
2036 GROMACS Feature Closed Normal gmx solvate should work with molecules 08/23/2016 03:25 PM GROMACS - 2018
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
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
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
2034 GROMACS Feature New Normal Unit tests for bonded forces David van der Spoel 06/29/2019 10:22 AM GROMACS - future
2068 GROMACS Feature New Normal Access to low level classes 03/02/2019 01:37 AM GROMACS - future
2132 GROMACS Feature New Normal Intermediate code for xvg handling 03/08/2017 05:12 PM GROMACS - future
2545 GROMACS Feature New Normal Should grompp fix periodicity of input files? David van der Spoel 10/03/2018 11:32 PM GROMACS - future
2866 GROMACS Feature New Normal Alternative non-bonded potentials David van der Spoel 03/05/2019 03:50 PM GROMACS - future
2641 GROMACS Bug Closed Normal Possible l-bfgs improvements David van der Spoel 04/05/2019 04:27 PM GROMACS - 2019.2
2815 GROMACS Bug Closed Normal gmx msd -mol broken David van der Spoel 12/26/2018 11:39 AM GROMACS - 2020
2843 GROMACS Bug Closed Normal Building with GMX_BUILD_OWN_FFTW 01/28/2019 04:38 PM GROMACS - 2020
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
2862 GROMACS Bug Closed Normal Division by zero in restrained dihedrals 02/28/2020 09:13 AM GROMACS - 2020.1
3375 GROMACS Bug Closed Normal Orires consistency check too strict David van der Spoel 02/21/2020 08:14 AM 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
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
713 GROMACS Bug Closed Normal MD with polarization does not work in parallel David van der Spoel 01/04/2012 01:21 PM
741 GROMACS Bug Closed Normal tpbconv can not read cpt file Berk Hess 06/29/2011 06:27 AM
1272 GROMACS Bug Closed Normal Energy minimization with domain decomposition crashes Berk Hess 06/16/2015 11:50 PM
1354 GROMACS Bug New Normal Constant acceleration NEMD is broken. David van der Spoel 01/09/2019 04:42 PM
1473 GROMACS Bug Closed Normal gmx energy -driftcorr broken. David van der Spoel 07/11/2016 07:48 PM
1592 GROMACS Bug Rejected Low Manual of trjconv is unclear about precision. David van der Spoel 06/22/2015 06:13 AM
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
2011 GROMACS Bug Closed Low gmx clustsize -mol ignores index file David van der Spoel 12/31/2017 05:00 PM
2019 GROMACS Bug Closed Low gmx velacc lacking documentation David van der Spoel 12/14/2017 10:27 PM
2052 GROMACS Bug New Low trjconv does not recognize periodic molecules David van der Spoel 01/12/2018 11:05 AM
2119 GROMACS Bug Closed Normal gmx solvate -shell does not add anything David van der Spoel 12/11/2017 12:17 PM
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
2444 GROMACS Bug Rejected Normal Eneergy minimization crashes due to vsites David van der Spoel 03/13/2018 02:03 PM GROMACS - 2018.1
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
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