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# Project Tracker Status Priority Subject Assignee Updated Target version
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
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
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
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
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
1592 GROMACS Bug Rejected Low Manual of trjconv is unclear about precision. David van der Spoel 06/22/2015 06:13 AM
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
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
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
1345 GROMACS Task Closed Low Charmm - CMAP weirdness in grompp Erik Lindahl 07/15/2014 06:42 AM GROMACS - 5.0
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
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
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
1395 GROMACS Bug Closed Normal rtp errors gromos and opls David van der Spoel 06/24/2014 08:29 PM GROMACS - 4.6.6
1473 GROMACS Bug Closed Normal gmx energy -driftcorr broken. David van der Spoel 07/11/2016 07:48 PM
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
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
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