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# Project Tracker Status Priority Subject Assignee Updated Target version
1469 GROMACS Bug Closed Normal sizeof call generates compilation error in src/gromacs/simd/impl_x86_sse2/impl_x86_sse2.h Erik Lindahl 04/03/2014 07:36 PM GROMACS - 5.0
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/28/2019 10:50 AM 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
1395 GROMACS Bug Closed Normal rtp errors gromos and opls David van der Spoel 06/24/2014 08:29 PM GROMACS - 4.6.6
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 12/27/2019 04:05 PM GROMACS - 2021
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
2641 GROMACS Bug Closed Normal Possible l-bfgs improvements David van der Spoel 04/05/2019 04:27 PM GROMACS - 2019.2
434 GROMACS Bug Closed Normal pdb2gmx opens all rtp files Erik Lindahl 06/14/2010 03:42 PM GROMACS - CVS
3375 GROMACS Bug Closed Normal Orires consistency check too strict David van der Spoel 02/21/2020 08:14 AM GROMACS - 2019.6
579 GROMACS Bug Closed Normal nstcalcenergy = -1 leads to wrong pressure Erik Lindahl 10/05/2010 12:43 PM GROMACS - 4.5.1
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
1249 GROMACS Bug Closed Normal no-PBC no-cutoff is broken with SIMD group kernels in 4.6.1 Erik Lindahl 03/04/2015 10:47 PM GROMACS - 4.6.x
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
1156 GROMACS Bug Closed Normal mdrun -nt > 1 crashes with old tpr Michael Shirts 12/16/2013 05:39 PM GROMACS - 4.6.1
1170 GROMACS Task New Normal mdlib reorganization 11/17/2016 03:47 PM GROMACS - future
713 GROMACS Bug Closed Normal MD with polarization does not work in parallel David van der Spoel 01/04/2012 01:21 PM
1859 GROMACS Bug Closed Normal make_ndx does not work David van der Spoel 01/12/2016 04:23 PM GROMACS - 5.1.2
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 PM
2132 GROMACS Feature New Normal Intermediate code for xvg handling 03/08/2017 05:12 PM GROMACS - future
2795 GROMACS Task New Normal Incorporate regressiontests into core gromacs 12/02/2019 01:44 PM GROMACS - 2021-infrastructure-stable
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
2111 GROMACS Feature In Progress Normal Implement Gaussian screening of electrostatics 02/23/2019 12:33 PM
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
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