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# Project Tracker Status Priority Subject Assignee Updated Target version
1047 GROMACS Feature Closed Normal CMake configuration summary Mark Abraham 07/11/2016 08:42 PM
1039 GROMACS Task Rejected Low investigate whether clang 3.0 really is buggy for the 4.6 group kernels Mark Abraham 11/29/2013 12:26 AM GROMACS - 4.6.x
1024 GROMACS Bug Closed Normal REMD and Verlet lists Berk Hess 01/14/2013 08:54 AM GROMACS - 4.6
1019 GROMACS Bug Closed Normal Timing stats broken Berk Hess 01/14/2013 08:56 AM GROMACS - 4.6
1018 GROMACS Bug Closed Normal cmake and gpu acceleration Szilárd Páll 01/01/2013 12:35 PM GROMACS - 4.6
1001 GROMACS Bug Closed Normal REMD statistics not collected properly any more Michael Shirts 12/28/2012 08:34 PM GROMACS - 4.6
1000 GROMACS Bug Closed Normal Possible bug with v-rescale thermostat and md-vv Michael Shirts 12/16/2013 05:38 PM GROMACS - 4.5.7
974 GROMACS Task Closed Normal Document use of environment variables 05/23/2014 02:02 PM GROMACS - 4.6
954 GROMACS Bug Closed Low calc_fluctuation_props output David van der Spoel 10/21/2012 12:40 PM GROMACS - 4.5.6
886 GROMACS Bug Closed Normal pdb2gmx -cmap needs some mention in manual section 5.6 Rossen Apostolov 06/18/2014 02:11 PM GROMACS - 4.6.x
884 GROMACS Bug Closed High Don't allow mixed-precision appending Berk Hess 04/16/2012 03:35 PM GROMACS - 4.6
862 GROMACS Bug Closed Normal g_hbond -r2 needs more documentation David van der Spoel 05/23/2014 02:02 PM
853 GROMACS Task Closed Normal Fix FAHCORE because it can no longer use -DMPI in CMakeLists. Michael Shirts 12/28/2012 08:49 PM GROMACS - 4.6
843 GROMACS Feature New Low g_helixorient could benefit from more documentation Erik Lindahl 05/23/2014 02:02 PM
834 GROMACS Bug Closed Normal g_bond and PBC Mark Abraham 06/13/2014 02:34 PM
833 GROMACS Bug Closed Normal NUMA should probably not be used under Cygwin Mark Abraham 04/16/2012 01:48 PM GROMACS - 4.5.6
820 GROMACS Bug Closed Normal dihedral restraints need more documentation Erik Lindahl 06/20/2014 10:39 AM GROMACS - 5.0
816 GROMACS Bug Closed Low clarification of documentation of suface-tension coupling Rossen Apostolov 06/20/2014 08:29 AM GROMACS - 5.0
813 GROMACS Bug Closed Normal pairs_nb needs documentation 05/23/2014 02:02 PM GROMACS - 5.0
812 GROMACS Bug Closed Normal g_sham needs more documentation David van der Spoel 07/15/2014 06:43 AM GROMACS - 5.0
807 GROMACS Bug Closed Normal Use of [cmap] Erik Lindahl 05/23/2014 02:02 PM
781 GROMACS Bug Closed Low Reading .g96 trajectories is broken Sander Pronk 09/06/2012 07:06 PM GROMACS - 4.5.6
776 GROMACS Bug Closed Low Typo in description of BD parameters Berk Hess 05/23/2014 02:02 PM
775 GROMACS Bug Closed Low Possible comment wrong in do_update_bd() Berk Hess 04/26/2012 09:37 PM GROMACS - 4.5.6
765 GROMACS Task New Normal Improving serialization of data structures prior to communication Mark Abraham 05/13/2014 10:04 AM GROMACS - future
764 GROMACS Bug Closed Normal md = steep calculates and reports pressure and virial Berk Hess 06/22/2011 11:12 AM GROMACS - 4.5.5
755 GROMACS Bug Closed Normal pdb2gmx -debug 1 writes *_new.hdb and new*.tdb files 01/09/2014 01:58 PM
753 GROMACS Feature Closed Normal Use of GB in parallel and/or with all-vs-all kernels needs a mention in the manual Mark Abraham 07/11/2016 08:45 PM
752 GROMACS Bug Closed Normal With PD, non-master processes allocate state twice Berk Hess 05/17/2011 12:06 PM GROMACS - 4.5.5
738 GROMACS Task Closed Normal Remove code duplication from various places Mark Abraham 09/21/2011 11:08 AM
736 GROMACS Feature Closed Normal BlueGene kernel upgrade Mark Abraham 04/19/2013 03:53 PM
735 GROMACS Task Closed Normal conversion of manual build system to CMake Mark Abraham 05/23/2014 02:02 PM
731 GROMACS Feature New Normal pdb2gmx should warn about missing residues when bonds are too long 06/22/2014 10:55 AM
729 GROMACS Bug Closed Normal With GMX_THREADS on, cmake blindly sets GMX_MPI=1 Sander Pronk 06/08/2011 01:52 PM GROMACS - git master
723 GROMACS Bug Closed Normal Need 4.5.4 manual release Rossen Apostolov 05/23/2014 02:02 PM
702 GROMACS Feature Rejected Normal Introducing gmx_cmdline_t Mark Abraham 04/19/2013 08:57 PM GROMACS - 5.0
695 GROMACS Bug Closed Low replica exchange can occur when energies are not current Mark Abraham 12/29/2012 03:59 PM GROMACS - 4.5.6
690 GROMACS Bug Closed Low options program needs to be built by default Mark Abraham 12/29/2012 02:06 PM GROMACS - 4.5.6
684 GROMACS Bug Closed Low Nonsense sentence 05/23/2014 02:02 PM
683 GROMACS Feature Closed Low do_dssp could be improved Mark Abraham 06/17/2014 03:11 PM
679 GROMACS Task Closed Normal g_select documentation should be included in the manual Teemu Murtola 06/05/2015 07:30 PM GROMACS - 5.1
678 GROMACS Bug Closed Normal regularize status of g_kinetics 06/08/2011 04:45 PM
677 GROMACS Task New Normal Make sure manual uses consistent style throughout 06/19/2014 11:49 AM
675 GROMACS Feature Closed Low pdb2gmx should issue a warning when applying non-zwitterionic termini to single-residue molecules 12/29/2012 08:55 PM
674 GROMACS Bug Closed Normal Use of specbond.dat is not documented Justin Lemkul 05/23/2014 02:02 PM
667 GROMACS Feature Rejected Low check_bonds_timestep() only reports the first suspicious bond Mark Abraham 07/11/2016 08:29 PM
664 GROMACS Task Closed Low Update code formatting to follow coding conventions 12/29/2012 12:54 PM
648 Support Platforms Task Closed Normal Use of commit hook scripts 05/31/2017 05:40 PM
647 Support Platforms Bug Closed Normal redmine repository hasn't picked up commits to release-4-5-patches for a few days 01/12/2011 03:45 PM
636 GROMACS Task Closed Low check for updates to FindMPI.cmake Mark Abraham 01/17/2012 01:51 PM
633 Support Platforms Task Closed Normal Expand range of versions available when reporting bugs Rossen Apostolov 05/31/2017 05:50 PM
632 GROMACS Feature Closed Normal Implementation of periodic improper dihedrals is incomplete Erik Lindahl 01/11/2013 12:36 PM GROMACS - 4.6
631 GROMACS Task Rejected Low Check that CMake default compiler options are mutually consistent 05/01/2013 12:50 AM
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