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# Project Tracker Status Priority Subject Assignee Updated Target version
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 New Normal Inconsisten labels in distance restraints can crash gmx disre David van der Spoel 02/17/2020 11:08 PM GROMACS - 2019.6
3375 GROMACS Bug New Normal Orires consistency check too strict David van der Spoel 02/12/2020 02:53 PM GROMACS - 2019.6
2862 GROMACS Bug In Progress Normal Division by zero in restrained dihedrals 12/30/2019 10:35 AM GROMACS - 2020.1
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
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
3049 GROMACS Bug New Low gmx nmeig should plot a real infrared spectrum David van der Spoel 09/24/2019 03:25 PM GROMACS - future
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
2034 GROMACS Feature New Normal Unit tests for bonded forces David van der Spoel 06/29/2019 10:22 AM GROMACS - future
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 PM
2641 GROMACS Bug Closed Normal Possible l-bfgs improvements David van der Spoel 04/05/2019 04:27 PM GROMACS - 2019.2
2866 GROMACS Feature New Normal Alternative non-bonded potentials David van der Spoel 03/05/2019 03:50 PM GROMACS - future
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
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
2843 GROMACS Bug Closed Normal Building with GMX_BUILD_OWN_FFTW 01/28/2019 04:38 PM GROMACS - 2020
1354 GROMACS Bug New Normal Constant acceleration NEMD is broken. David van der Spoel 01/09/2019 04:42 PM
2815 GROMACS Bug Closed Normal gmx msd -mol broken David van der Spoel 12/26/2018 11:39 AM GROMACS - 2020
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
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
2568 GROMACS Bug New Low gmx editconf -rotate does not rotate the box 07/10/2018 10:27 AM GROMACS - future
1837 GROMACS Feature Closed High Design of new table classes David van der Spoel 03/17/2018 12:31 AM
2444 GROMACS Bug Rejected Normal Eneergy minimization crashes due to vsites David van der Spoel 03/13/2018 02:03 PM GROMACS - 2018.1
2052 GROMACS Bug New Low trjconv does not recognize periodic molecules David van der Spoel 01/12/2018 11:05 AM
2071 GROMACS Task In Progress High Low accuracy default settings yield incorrect liquid densities Berk Hess 01/05/2018 03:32 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
2119 GROMACS Bug Closed Normal gmx solvate -shell does not add anything David van der Spoel 12/11/2017 12:17 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
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
2132 GROMACS Feature New Normal Intermediate code for xvg handling 03/08/2017 05:12 PM GROMACS - future
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
1170 GROMACS Task New Normal mdlib reorganization 11/17/2016 03:47 PM 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
1524 GROMACS Feature Closed Low More uniform options to programs. David van der Spoel 08/17/2016 02:25 PM
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
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
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
1498 GROMACS Feature New Low g_dipoles does not work properly with ionic systems David van der Spoel 07/11/2016 08:11 PM
1863 GROMACS Feature Closed Normal write tng files with velocities from mdrun Magnus Lundborg 07/11/2016 08:01 PM GROMACS - 2016
1864 GROMACS Feature New Normal write tng files with energies Magnus Lundborg 07/11/2016 08:00 PM
1473 GROMACS Bug Closed Normal gmx energy -driftcorr broken. David van der Spoel 07/11/2016 07:48 PM
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
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
1377 GROMACS Feature Feedback wanted Low Replica exchange if replicas not in ascendent T David van der Spoel 06/23/2016 03:48 PM
181 GROMACS Bug Closed Normal Pressure scaling distorts dodecahedron boxes Erik Lindahl 02/18/2016 11:59 PM GROMACS - 3.3.1
1859 GROMACS Bug Closed Normal make_ndx does not work David van der Spoel 01/12/2016 04:23 PM GROMACS - 5.1.2
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