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# Project Tracker Status Priority Subject Assignee Updated Target version
2451 GROMACS Feature Resolved Normal Linear virtual sites with fixed distance David van der Spoel 09/16/2019 01:15 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
713 GROMACS Bug Closed Normal MD with polarization does not work in parallel David van der Spoel 01/04/2012 01:21 PM
1170 GROMACS Task New Normal mdlib reorganization 11/17/2016 03:47 PM GROMACS - future
1156 GROMACS Bug Closed Normal mdrun -nt > 1 crashes with old tpr Michael Shirts 12/16/2013 05:39 PM GROMACS - 4.6.1
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
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
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
579 GROMACS Bug Closed Normal nstcalcenergy = -1 leads to wrong pressure Erik Lindahl 10/05/2010 12:43 PM GROMACS - 4.5.1
434 GROMACS Bug Closed Normal pdb2gmx opens all rtp files Erik Lindahl 06/14/2010 03:42 PM GROMACS - CVS
2641 GROMACS Bug Closed Normal Possible l-bfgs improvements David van der Spoel 04/05/2019 04:27 PM GROMACS - 2019.2
181 GROMACS Bug Closed Normal Pressure scaling distorts dodecahedron boxes Erik Lindahl 02/18/2016 11:59 PM GROMACS - 3.3.1
206 GROMACS Bug Closed Normal Protein atom naming in pdb files incorrect David van der Spoel 10/08/2008 02:38 AM GROMACS - CVS
2774 GROMACS Feature New Normal Refactor shell code into its own integrator David van der Spoel 03/29/2019 05:20 PM GROMACS - 2020
1854 GROMACS Feature New Normal Remove all cyclic dependencies 05/25/2017 08:34 AM
1395 GROMACS Bug Closed Normal rtp errors gromos and opls David van der Spoel 06/24/2014 08:29 PM GROMACS - 4.6.6
2545 GROMACS Feature New Normal Should grompp fix periodicity of input files? David van der Spoel 10/03/2018 11:32 PM GROMACS - future
2771 GROMACS Task New Normal Size independent Hessian for normal mode analysis 12/08/2018 08:06 PM GROMACS - 2020
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
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
2931 GROMACS Feature New Normal Tables in Verlet kernels 04/29/2019 12:01 PM
620 GROMACS Bug Closed Normal Total dipole in energy files is incorrect 12/28/2012 08:15 PM GROMACS - 4.6
741 GROMACS Bug Closed Normal tpbconv can not read cpt file Berk Hess 06/29/2011 06:27 AM
847 GROMACS Bug Rejected Normal tpbconv with index file can produce incorrect tpr files 12/29/2012 12:18 AM GROMACS - 4.6
1502 GROMACS Bug Closed Normal trjconv incorrect tng defaults Magnus Lundborg 06/05/2014 04:48 PM GROMACS - 5.0
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