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# Project Tracker Status Priority Subject Assignee Updated Target version
2978GROMACSBugNewNormalSome suggestions about the gmx current tool06/13/2019 12:41 PM
2977GROMACSFeatureNewNormalprint DD load balancing improvement06/13/2019 10:56 AM
2976GROMACSTaskNewNormalBasic math for Multidimensional arrays06/13/2019 12:37 AMGROMACS - 2020
2975GROMACSFeatureNewNormalLJ PME calculations on GPUs06/12/2019 01:17 PM
2974GROMACSBugNewNormalposition-restraints regressiontest fails on intel GPU06/12/2019 01:24 PMGROMACS - 2019.4
2972GROMACSBugNewNormalsmall bug in anaeig when comparing two eigenvector files06/10/2019 10:22 PM
2971GROMACSTaskNewNormalRework TPR reading to allow reading of raw bytes from disk and communication of complete information at setup timePaul Bauer06/07/2019 02:27 AM
2967GROMACSFeatureNewNormalGPU reallocateDeviceBuffer improvements06/13/2019 02:41 PMGROMACS - 2020-beta1
2965GROMACSTaskNewNormalPerformance of GPU direct communications05/31/2019 03:12 PMGROMACS - 2020
2961GROMACSFeatureNewNormalHow should Python package find GROMACS resources under various circumstances?05/29/2019 12:00 AM
2959GROMACSBugNewNormalPython pygments not installed on bs_nix-docs prevents documentation build06/04/2019 05:52 PMGROMACS - 2020-infrastructure-stable
2958GROMACSBugNewNormalCompiling master (to become 2020) using CUDA 9.005/23/2019 04:36 PMGROMACS - 2020-beta1
2957GROMACSFeatureNewNormaladd support for the Hygon Dhyana architecture05/21/2019 01:00 PMGROMACS - 2020
2956GROMACSFeatureNewNormalSAXS resolution05/17/2019 09:58 AM
2954GROMACSBugNewNormalgenion changes residue numbering05/26/2019 12:08 AM
2950GROMACSBugNewNormalwrong temperature reported at end of sim with uneven number of steps05/13/2019 03:13 PM
2949GROMACSBugNewNormalcmake fails when building mdrun only05/11/2019 11:48 AM
2948GROMACSBugNewNormalSIMD support detected as none on AMD R5 2500U05/21/2019 12:58 PM
2947GROMACSTaskAcceptedNormalmake an end to end test for membed05/29/2019 06:57 PMGROMACS - 2020-beta1
2945GROMACSTaskNewNormalGive MdModules access to simulation resources (e.g. atom selection manager or communication infrastructure)Christian Blau05/19/2019 01:26 PMGROMACS - 2020
2944GROMACSFeatureNewNormalRoadmap for thermostats / barostats in new propagation/integration schemeMichael Shirts05/08/2019 05:50 PMGROMACS - 2020
2943GROMACSTaskNewNormalRename IntegratorPascal Merz05/23/2019 08:04 PMGROMACS - 2020
2941GROMACSBugNewNormalOpenCL fail in osx 10.13.605/06/2019 07:51 PM
2939GROMACSBugFix uploadedNormalmaster post-submit failing in complex.nbnxn-ljpme-LB-geometric06/07/2019 03:29 PMGROMACS - 2020-infrastructure-stable
2938GROMACSTaskNewNormalDecouple building the force providers from the force calculationsChristian Blau04/29/2019 01:09 PM
2937TNG trajectory libraryBugNewNormaltng_num_frames_get reports incorrect num frames04/29/2019 11:30 AM
2936GROMACSTaskNewNormalintroduce check that CPU-GPU transfers are made between arrays of compatible types05/13/2019 09:23 AMGROMACS - 2020
2935Support PlatformsBugNewHighredmine issue updates about gerrit uploads stopped working06/11/2019 01:42 PMSupport Platforms - current
2934GROMACSFeatureNewNormalGPU X Buffer ops06/06/2019 03:26 PMGROMACS - 2020
2933GROMACSTaskNewNormalConvert walls to a ForceProvider04/25/2019 02:43 PM
2931GROMACSFeatureNewNormalTables in Verlet kernels04/29/2019 12:01 PM
2930GROMACSFeatureNewNormalLimited range for reference group detection in cylinder pulling04/26/2019 05:17 PM
2928GROMACSFeatureNewNormalAdd ability to use expression "count of ATOM_EXPR" in selection statements.04/16/2019 04:52 PM
2927GROMACSBugFeedback wantedLowCMake 3.14.1 fails to properly run gmxDetectCpu.make 06/11/2019 02:42 PMGROMACS - 2019.4
2925GROMACSBugNewNormalBasicVector addition operator yields unexpected result when adding scalarChristian Blau04/20/2019 05:39 PMGROMACS - 2020
2924GROMACSBugNewNormalFailing version check when reading new tpr file with older gromacs version04/12/2019 10:52 AM
2919GROMACSTaskNewNormalC++ style guidelines for namespace use04/15/2019 01:21 PM
2916GROMACSTaskNewNormalDecide future of symtabPaul Bauer05/10/2019 04:29 PMGROMACS - 2020-beta1
2915GROMACSFeatureNewNormalGPU direct communications06/12/2019 05:25 PM
2912GROMACSTaskIn ProgressNormalC++ extension module for Python bindingsEric Irrgang04/03/2019 08:36 PM
2910GROMACSFeatureNewNormalMixed scaling for 1-4 interactions04/10/2019 10:13 PM
2909GROMACSTaskNewNormalconsider implementing mechanisms to ensure pair lists are not used past their max lifetime04/03/2019 05:14 PM
2908GROMACSTaskNewNormalRenaming things in nbnxmBerk Hess03/28/2019 10:10 AM
2907GROMACSBugNewNormalGromacs autocompletion appears to be broken with ZSH03/27/2019 11:19 AM
2905GROMACSTaskNewNormalAdd a Jenkins configuration with std library assert 04/16/2019 10:01 AM
2902GROMACSBugNewNormal2019.1 equilibration issue? (Intel 2018u3)04/30/2019 08:17 AM
2901GROMACSFeatureNewNormalDeclare external Resources in mdp / tpr files. Christian Blau03/27/2019 04:27 PMGROMACS - 2020
2899GROMACSTaskNewLowUpdate testing matrix versions for GROMACS 2020 releaseMark Abraham03/20/2019 01:52 PMGROMACS - 2020-infrastructure-stable
2898GROMACSTaskNewLowNaming common variables03/26/2019 11:46 PM
2897GROMACSBugNewNormalrotation/flex2 can still fail on cpu-only run on OpenCL build04/04/2019 06:24 PM
2896GROMACSFeatureNewNormalPython packaging04/03/2019 12:57 PMGROMACS - 2020
2895GROMACSTaskResolvedNormalgmxapi Output proxy establishes execution dependency.Eric Irrgang03/29/2019 05:18 PMGROMACS - 2020
2894GROMACSTaskResolvedNormalWrap importable Python code.Eric Irrgang05/09/2019 11:30 AMGROMACS - 2020
2893GROMACSTaskResolvedNormalIntegrate gmxapi Python packageEric Irrgang04/09/2019 12:20 PMGROMACS - 2020
2891GROMACSFeatureNewNormalPME/PP GPU communications 04/02/2019 05:30 PM
2890GROMACSFeatureNewNormalGPU Halo Exchange05/28/2019 12:23 PMGROMACS - 2020
2889GROMACSTaskNewNormalupdate grompp warnings for brevity, usefulness and actionabilityMark Abraham03/11/2019 02:15 PMGROMACS - 2020
2888GROMACSFeatureNewNormalCUDA Update and Constraints moduleArtem Zhmurov04/24/2019 11:32 PMGROMACS - 2020
2887GROMACSFeatureNewNormalCUDA version of Leap Frog algorithmArtem Zhmurov03/21/2019 10:36 PMGROMACS - 2020
2886GROMACSFeatureNewNormalCUDA version of SETTLEArtem Zhmurov03/13/2019 01:40 PMGROMACS - 2020
2885GROMACSFeatureNewNormalCUDA version of LINCSArtem Zhmurov03/12/2019 01:33 PMGROMACS - 2020
2884GROMACSBugIn ProgressNormalGROMACS can not reproduce properties with the GROMOS force fields06/02/2019 02:30 AM
2883GROMACSBugNewNormalessentialdynamics fail with Intel MPI03/08/2019 03:10 AM
2882GROMACSTaskNewNormalevaluate different storage layouts for GPU coordinates/changes/forcesSzilárd Páll03/07/2019 06:21 PM
2880GROMACSBugFeedback wantedLow2019.1 Multiple errors with AVX512 on testsMark Abraham06/10/2019 02:01 PMGROMACS - 2019.4
2877GROMACSTaskNewNormaluse gmx::Options moreMark Abraham04/02/2019 06:14 PMGROMACS - 2020
2876GROMACSBugNewNormal2019.1 make check fails on AVX and AVX2 (Intel 2018u3)Erik Lindahl03/08/2019 10:32 AM
2875GROMACSTaskAcceptedNormalSIMD version of the free-energy kernelBerk Hess03/05/2019 02:21 PMGROMACS - 2020
2874GROMACSTaskNewNormalRefactor Gromacs (cluster) neighborlist into separate moduleErik Lindahl02/28/2019 11:36 AM
2873GROMACSBugNewNormalSimple way to get last frame from trajectory02/28/2019 11:14 PM
2872GROMACSBugNewNormalgmx solvate and genion topology update02/27/2019 10:18 AM
2870GROMACSBugNewNormalGPU detection error message missing from the output03/05/2019 03:55 PM
2869GROMACSBugNewNormalGPU detection error only issued as a note to the log03/05/2019 04:09 PM
2867GROMACSBugNewHighabnormal box fluctuations on GPUs still thereBerk Hess03/05/2019 10:23 PM
2866GROMACSFeatureNewNormalAlternative non-bonded potentialsDavid van der Spoel03/05/2019 03:50 PMGROMACS - future
2864GROMACSTaskNewNormalBuilding incompatibiltiesBenson Muite02/19/2019 02:00 PM
2863GROMACSTaskNewNormalimprove PBC handling03/11/2019 04:28 PM
2862GROMACSBugIn ProgressNormalDivision by zero in restrained dihedrals04/01/2019 11:53 AMGROMACS - 2020
2860GROMACSFeatureNewNormalOption for outputting min/max coordinates in gmx traj02/08/2019 12:35 AM
2859GROMACSTaskFix uploadedNormalChange ArrayRef iterator type from pointer to std::iterator02/08/2019 11:00 PM
2857GROMACSTaskNewNormalClarify recommended function specifies (constexpr, noexcept, pure)02/04/2019 04:48 AM
2855GROMACSTaskNewNormalAllow compiling GROMACS without C compiler01/31/2019 08:44 PM
2854GROMACSBugNewNormalOnlineHelpUnitTests segfaults on s390x with gcc-9.0.1Paul Bauer02/04/2019 11:17 AM
2853GROMACSBugNewNormalEwaldUnitTests segfault on armv7hl with gcc-9.0.1Paul Bauer02/04/2019 05:34 PM
2852GROMACSBugNewLowthe in-tree regressiontest download can get out of sync with code01/30/2019 03:58 PM
2851Support PlatformsTaskNewNormaluninstall redmine checklist plugin01/30/2019 03:33 PM
2850GROMACSTaskIn ProgressNormalassess Raptor Talos for testingSzilárd Páll02/12/2019 01:14 PM
2848GROMACSBugNewNormalgmx make_ndx ignores last residue in case only CA's are present in GRO file01/30/2019 06:16 AM
2846GROMACSFeatureNewLowSet rpath in FindLibStdCpp.cmake02/02/2019 08:09 AM
2845GROMACSBugResolvedHighcritical box fluctuations when using GPUs 06/11/2019 11:51 AM
2840GROMACSFeatureNewNormalTest that functionality does not compile that is not supposed to.01/25/2019 02:35 PMGROMACS - future
2839GROMACSTaskNewNormalmake module and file naming consistent04/09/2019 04:27 PMGROMACS - 2020
2835GROMACSTaskNewNormalMatrix class constraint to upper or lower triangle02/07/2019 02:44 PM
2834GROMACSTaskNewNormalC++ matrix classesChristian Blau01/23/2019 12:19 PMGROMACS - 2020
2833GROMACSTaskNewNormalUpdate topology datastructuresPaul Bauer04/02/2019 12:39 PMGROMACS - 2020
2832GROMACSBugNewLowPaddedVector move operations brokenMark Abraham02/12/2019 03:22 PMGROMACS - 2020
2831GROMACSTaskNewNormalBump required version numbers of infrastructure for 2020Mark Abraham04/02/2019 03:04 PMGROMACS - 2020
2828GROMACSBugFeedback wantedNormalInstallation issue on Power 9 system with SIMD support01/18/2019 11:54 AM
2822GROMACSTaskAcceptedNormalMake nbnxn a moduleBerk Hess01/03/2019 03:07 PMGROMACS - 2020
2819GROMACSTaskIn ProgressLowfigure out latest clang + native CUDA that works on our hardware01/14/2019 01:30 PMGROMACS - 2020
2818GROMACSTaskNewNormalbonded GPU kernel fusionMagnus Lundborg05/21/2019 02:44 PM
2817GROMACSFeatureAcceptedNormalGPU X/F buffer ops03/14/2019 12:24 PM
2816GROMACSFeatureNewNormalDevice-side update&constraits, buffer ops and multi-gpu commsAlan Gray05/30/2019 04:22 PMGROMACS - 2020
2806GROMACSFeatureNewNormalSIMD algorithms for ARM SVE // nobnonded cluster and otheres12/12/2018 05:52 PMGROMACS - 2020
2798GROMACSBugNewNormalDefault mpi rank number fails when there are 16 cores and 3 gpusBerk Hess12/11/2018 10:11 PMGROMACS - 2020
2796GROMACSTaskNewLowclarify what mdrun -cpt means01/03/2019 02:09 PM
2795GROMACSTaskNewNormalIncorporate regressiontests into core gromacs02/13/2019 08:17 PMGROMACS - 2020
2792GROMACSTaskNewNormalImprovement of PME gather and spread CUDA kernels01/07/2019 11:56 AM
2791GROMACSFeatureIn ProgressNormalImplement a module for lambda-dynamics simulations (lambda_site module)Thomas Ullmann03/01/2019 01:36 AMGROMACS - future
2788GROMACSBugNewNormalPME will not run on AMD GPU with NVidia GPU present01/03/2019 02:24 PM
2787GROMACSTaskNewNormalallow passing flags to allocateDeviceBuffer12/03/2018 01:54 PM
2785GROMACSBugNewNormalInconsistent and erroneous behaviour of trjconv when writing a partial TNG11/30/2018 02:36 PM
2774GROMACSFeatureNewNormalRefactor shell code into its own integratorDavid van der Spoel03/29/2019 05:20 PMGROMACS - 2020
2773GROMACSTaskNewNormalimprove GPU error handling and make such handling uniform across modules11/21/2018 10:28 AMGROMACS - 2020
2771GROMACSTaskNewNormalSize independent Hessian for normal mode analysis12/08/2018 08:06 PMGROMACS - 2020
2770GROMACSTaskNewNormalchange branch maintenance policy11/29/2018 02:51 PMGROMACS - 2020
2767GROMACSBugNewNormalgrompp warns about md + FEP even for fully coupled states11/19/2018 11:41 AMGROMACS - 2020
2766GROMACSTaskIn ProgressNormalImprove hardware option selectionKevin Boyd12/20/2018 06:40 PMGROMACS - 2020
2764GROMACSTaskNewNormalgmxapi version updates for post release-2019Eric Irrgang11/21/2018 12:53 PM
2763GROMACSBugNewNormalGMXAPI layout / grouping in development docs "modules" page12/14/2018 12:49 PMGROMACS - future
2761GROMACSFeatureNewLowlincs-order 4 is too conservative for some force fields11/16/2018 09:55 AM
2758GROMACSTaskNewLowModernize genconf11/15/2018 07:38 AMGROMACS - future
2756GROMACSTaskNewNormalgmxapi integration testing05/14/2019 04:23 PMGROMACS - 2020
2755GROMACSFeatureNewLowmd5 sums and sha256, sha512 hashesBenson Muite02/19/2019 11:00 PM
2754GROMACSBugNewNormalSimulated Tempering seems to be brokenMichael Shirts02/05/2019 03:58 PM
2740GROMACSBugNewNormalmdrun reports incorrect error with -bonded gpu without gpuMark Abraham11/07/2018 01:59 PM
2739GROMACSFeatureNewNormalParallel continuous tempering and enhanced sampling feature11/13/2018 11:36 PM
2737GROMACSBugFeedback wantedLowAMD OpenCl failes release build in complex testsSzilárd Páll06/10/2019 01:33 PMGROMACS - 2019.4
2735GROMACSTaskNewNormalAllow gmx_genrestr to write correct position restraints for molecules after the first moleculeJoe Jordan11/09/2018 12:19 PMGROMACS - 2020
2734GROMACSBugIn ProgressNormalregressiontests/kernel core dumps on ppc64lePaul Bauer06/15/2019 04:12 PMGROMACS - future
2733GROMACSBugBlocked, need infoNormalMdrunUtilityMpiUnitTests timesout on i686 and armv7hl with OpenMPI 2.1.5Paul Bauer11/08/2018 04:27 PM
2730GROMACSTaskNewNormalAdd tests for gmx_genionJoe Jordan11/02/2018 06:42 PMGROMACS - 2020
2728GROMACSBugNewNormalFix NB kernel picking11/02/2018 03:51 PMGROMACS - 2020
2727GROMACSTaskIn ProgressLowMove non-analysis functions out of gmxana01/20/2019 07:48 PMGROMACS - 2020
2723GROMACSTaskNewNormalUpdate mdrun-performance.rst to clearly express the nature of taskJoe Jordan06/10/2019 01:33 PMGROMACS - 2020-beta1
2722GROMACSBugNewNormalgmxapi may over-manage RPATHMark Abraham12/17/2018 01:31 PMGROMACS - 2020
2719GROMACSBugNewNormalPME broken with Intel OpenCL on OSX11/07/2018 04:31 PM
2715GROMACSFeatureNewNormalAvoid requesting the user to recompile gromacs for Intel OpenCL support10/31/2018 12:16 PMGROMACS - 2020
2713GROMACSFeatureNewNormalConstant offset for external electric fields10/28/2018 12:57 AM
2710GROMACSFeatureNewNormalSeparate dvdl for each molecule (of couple-moltype) when running FEP10/26/2018 10:24 AMGROMACS - 2020
2707GROMACSBugNewNormalInstalled OpenCL files include clh file from gpu_utils directory10/30/2018 04:02 AM
2706GROMACSTaskAcceptedNormalRework classic QM/MM interface11/05/2018 10:06 AMGROMACS - 2020
2702GROMACSBugAcceptedNormalPME gather reduction race in OpenCL (and CUDA)03/28/2019 03:14 PM
2699GROMACSTaskNewNormalTest POWER904/05/2019 04:50 PMGROMACS - 2020
2698GROMACSTaskNewNormalgmxapi documentation integration03/02/2019 01:31 AM
2697GROMACSTaskNewNormalimprove FFT library flavor/version reporting12/10/2018 01:49 PMGROMACS - 2020
2696GROMACSTaskIn ProgressNormalensure PME queue is flushedSzilárd Páll12/31/2018 11:21 AMGROMACS - future
2695GROMACSTaskNewLowbonded GPU module timing 01/21/2019 01:19 PMGROMACS - 2020
2693GROMACSBugNewNormalSeveral memory leaks in mdrun12/18/2018 04:22 AMGROMACS - future
2686GROMACSTaskNewNormaladd tests for gpu bonded interactions11/29/2018 10:44 AMGROMACS - 2020
2682GROMACSTaskNewNormalAdd MSAN configuration10/09/2018 06:28 PM
2675GROMACSTaskIn ProgressNormalbonded CUDA offload task12/31/2018 11:20 AMGROMACS - 2020
2674GROMACSTaskAcceptedNormalImprove domain decomposition for bilayer systems12/07/2018 04:03 PMGROMACS - future
2672GROMACSTaskNewNormalcheck & document execution width requirements in OpenCL12/31/2018 11:20 AMGROMACS - future
2671GROMACSTaskNewNormalreplace constants like M_PI10/05/2018 08:58 AMGROMACS - 2020
2670GROMACSTaskNewLowremove old/backward compatibility OpenCL support from releng10/04/2018 06:06 PM
2667GROMACSFeatureNewNormalSuggested steps for calculating entropy in solution and bindingDavid van der Spoel10/30/2018 02:06 PMGROMACS - 2020
2660GROMACSTaskNewLowrework OpenCL nbnxn kernel constantsSzilárd Páll10/30/2018 12:10 PMGROMACS - 2020
2658GROMACSTaskNewNormalSecondary structure assignment via DSSP as native gromacs code Christian Blau10/09/2018 04:51 PMGROMACS - future
2657GROMACSBugNewNormalBiphasic tutorial09/28/2018 10:02 AM
2650GROMACSTaskNewNormalrevise OpenCL stack recommendations12/31/2018 11:19 AMGROMACS - future
2649GROMACSBugNewNormalVirial calculation necessary for correct energy calculation on GPU12/17/2018 02:32 PMGROMACS - future
2645GROMACSBugNewNormalSecurity09/28/2018 01:16 PM
2644GROMACSTaskNewNormalReplace compute_globalsMark Abraham09/24/2018 05:51 PMGROMACS - future
2643GROMACSFeatureNewLowmdp options and/or docs for anisotropic aspects of implementations09/12/2018 02:23 PM
2637GROMACSBugNewHighgmx solvate tears apart molecules09/11/2018 07:43 PM
2632GROMACSTaskNewLowmake sure cmake defines proper hwloc versionc with cross-compilation enabled12/03/2018 01:35 PMGROMACS - future
2628GROMACSBugFix uploadedNormalGMXRC removes trailing colon from existing MANPATH08/28/2018 03:13 PM
2624GROMACSBugNewNormalGPU build system not robust enough09/05/2018 02:00 AM
2623GROMACSTaskResolvedNormalAllow extensible MDModules and forceProviders.10/15/2018 03:44 PM
2622GROMACSFeatureNewLowReduce severity of Berendsen warning08/23/2018 11:16 PMGROMACS - future
2621GROMACSTaskNewNormalFine-Grained API to Describe Force Calculation and Neighbourhood SearchPrashanth Kanduri08/22/2018 11:36 AMGROMACS - future
2620GROMACSFeatureIn ProgressNormalMD signaling API03/02/2019 01:24 AM
2616GROMACSTaskNewNormalModel for MD state09/14/2018 05:12 PM
2615GROMACSFeatureAcceptedNormalSwitch to Python306/12/2019 05:34 PMGROMACS - 2020
2611GROMACSBugNewNormalissues with gpu_utils-test with GMX_BUILD_UNITTESTS=OFF and on OSX08/14/2018 07:03 PM
2608GROMACSTaskNewNormalRemove code duplication between OpenCL and CUDA09/24/2018 12:47 PM
2607GROMACSBugNewNormalGrompp becomes extremely slow when many pull groups are present08/11/2018 08:54 AM
2606GROMACSBugNewNormalFree Energy Calculation -- Function type Fourier Dih. Not implemented in ip_pert08/10/2018 01:48 AM
2603GROMACSTaskNewNormalAdd ability to properly check coordinate files during testingPaul Bauer10/15/2018 01:16 PMGROMACS - future
2602GROMACSBugNewLowbuild information gets outdated if build tree is reused08/13/2018 09:04 PM
2601GROMACSFeatureNewNormalFree energy calculations, soft-core potentialVytautas Gapsys03/05/2019 01:44 AMGROMACS - future
2600GROMACSBugNewHighcoul-lambdas turns off all coulombic interactions in system instead of the molecule specificed in the couple-moltype08/07/2018 06:50 PM
2598GROMACSBugNewNormalTools using read_next_x cannot read TNG files with sanitzers10/15/2018 01:16 PMGROMACS - future
2596GROMACSFeatureNewNormalConstant potential methodBenson Muite05/10/2019 09:54 AM
2595GROMACSTaskNewNormalReusable Utilities for SchedulesPrashanth Kanduri02/22/2019 03:48 PMGROMACS - future
2594GROMACSFeatureNewNormalMulti-level GMX APIPrashanth Kanduri02/22/2019 03:48 PMGROMACS - future
2590GROMACSTaskNewNormalEssential Dynamics as module providing forcesChristian Blau08/22/2018 05:03 PMGROMACS - future
2587GROMACSFeatureIn ProgressNormalProvide Context (e.g. to runner code) to manage client and runtime environment10/15/2018 03:34 PM
2586GROMACSFeatureResolvedNormalVersioned libgmxapi target for build, install, headers, docs03/02/2019 01:32 AM
2585GROMACSFeatureResolvedNormalInfrastructure supporting external API03/31/2019 04:47 PM
2582GROMACSBugBlocked, need infoNormalCompilation issues with CUDA V9.1.85 and both gcc5 and gcc6 Szilárd Páll07/23/2018 07:46 PM
2581GROMACSFeatureAcceptedNormalUser interface for hybrid Monte Carlo10/15/2018 05:21 PMGROMACS - 2020
2580GROMACSBugFeedback wantedHighsc-coul option yields different free energy estimate on a ligand with zero partial charge09/11/2018 08:10 AM
2579GROMACSFeatureNewNormalAdd dimensionality option to gmx trjconv -center07/19/2018 04:53 PMGROMACS - future
2576GROMACSBugNewNormalgmx potential -correct outputs the wrong potential07/25/2018 02:58 PM
2574GROMACSFeatureNewNormaliForceSchedule AbstractionPrashanth Kanduri03/29/2019 05:20 PMGROMACS - future
2573GROMACSBugNewHighDifferent mdp files describing the same change yield different free energy on the same trajectory07/19/2018 06:52 PM
2570GROMACSFeatureNewNormalBetter string formatting and printing05/02/2019 12:20 PM
2568GROMACSBugNewLowgmx editconf -rotate does not rotate the box07/10/2018 10:27 AMGROMACS - future
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