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Fixes for Solaris
2017-09-05 Mark AbrahamFixes for Solaris
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2017-09-03 Mark AbrahamFix compiler flags for using MKL
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2017-09-03 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-08-25 Mark AbrahamFix flat-bottomed position restraints with multiple...
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2017-08-21 Mark AbrahamFix compilation issues with ARM SIMD
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2017-08-18 Vedran MiletićImprove the "files not present" error message
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2017-08-15 David van der SpoelWorked around missing OpenMP implementation in orires.
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2017-08-15 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-08-15 Jiri KrausCUDA 9/Volta support for the nonbonded module
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2017-08-15 Mark AbrahamFix value of Ewald shift
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2017-08-06 Mark AbrahamRemoved unused host-side allocation code
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2017-08-03 Berk HessAdd check for nr of orientation restraints
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2017-08-03 Berk HessFix bugs with orientation restraints
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2017-08-03 Carsten KutznerAdded missing .mdp file documentation for the enforced...
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2017-06-28 Mark AbrahamFix specification for gcc-6
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2017-06-27 Mark AbrahamMinor improvements to test configs
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2017-06-12 Berk HessDisable PME tuning with the group scheme
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2017-05-29 Vedran MiletićStandardize use of |Gromacs| in reST docs
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2017-05-26 Mark AbrahamTest invsixthroot function as intended
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2017-05-15 Mark AbrahamUpdated use of gcc-5 specifiers
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2017-05-14 Justin LemkulClarifications to editconf help text.
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2017-05-09 Mark AbrahamFix formatting of MKL cmake docs
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2017-04-19 Berk HessFix unused SIMD PME table kernel
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2017-04-17 Mark AbrahamPropose a post-submit matrix
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2017-03-22 Mark AbrahamAdd section to user guide for managing simulations
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2017-03-14 Mark AbrahamBumped version to prepare for next patch release
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2017-03-13 Mark AbrahamVersion 2016.3
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2017-03-13 Ake SandgrenFix tune_pme detection of GPU support
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2017-03-13 Ake SandgrenFix spacing in tune_pme call to thread-mpi mdrun
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2017-03-09 Szilárd PállFix mdrun hanging upon exit with sep PME ranks
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2017-03-07 Mark AbrahamFix minor issues in gmx traj -av -af
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2017-03-04 David van der SpoelRemoves rogue printing to xvg file in gmx mindist
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2017-03-04 Mark AbrahamFixes for xl compilers 13.1.5 on Power8
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2017-02-15 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-02-10 Mark AbrahamCorrected output of gmx do_dssp -sc
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2017-02-07 Vedran MiletićDocument running Clang static analyzer manually
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2017-02-07 Mark AbrahamBumped version to prepare for next patch release
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2017-02-07 Mark AbrahamVersion 2016.2
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2017-02-07 Berk HessAdd mdp option check with decoupled modes
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2017-02-05 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-01-31 Mark AbrahamMerge branch release-5-1 into release-2016
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2017-01-22 Mark AbrahamFixed gmx rmsf -q -oq.
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2017-01-20 Berk HessDisallow overwriting of dihedral type 9
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2017-01-04 Mark AbrahamStop trying to use objdump --reloc on Mac
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2017-01-03 Mark AbrahamMerge branch release-5-1 into release-2016
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2016-12-20 Mark AbrahamCorrected documentation about eigenvalue handling
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2016-12-10 Teemu MurtolaBuild scripts for improved release workflow
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2016-12-09 Szilárd PállTurn off hwloc support when static lib found
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2016-12-08 Teemu MurtolaFix possible memory error with long selections
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2016-12-07 Teemu MurtolaFix use of position variables with plus/merge
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2016-12-07 Mark AbrahamFix memory handling in gmx dump of TNG files
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2016-12-05 Mark AbrahamRemove undue narrowing of integer in TNG reading
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2016-12-01 Mark AbrahamFix minor trjconv bug
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2016-11-16 Carsten KutznerIncreased the default reset step to 1500 in gmx tune_pme
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2016-11-08 Dan HorákFix x86 conditional
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2016-10-28 Mark AbrahamBumped version to prepare for next patch release
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2016-10-28 Mark AbrahamVersion 2016.1
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2016-10-28 Berk HessDLB can now turn off, when slower
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2016-10-28 Szilárd PállGPU-related additions to the install/user guide
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2016-10-28 Berk HessFix DLB timing with CUDA and OpenCL
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2016-10-27 Szilárd PállMake -cl-fast-relaxed-math default
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2016-10-21 Mark AbrahamUpdate install guide
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2016-10-18 Mark AbrahamFix SIMD suggestion for VMX
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2016-10-12 Berk HessFixed print bug in gmx wham
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2016-10-11 James W. Barnettfix typo
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2016-10-07 Mark AbrahamAdd script for Jenkins regressiontest update job
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2016-10-06 Carlo CamilloniAlways update mdatoms when doing energy minimisation
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2016-10-03 Mark AbrahamMerge branch release-5-1 into release-2016
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2016-10-03 Mark AbrahamReplace use of deprecated readdir_r
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2016-09-28 Jochen HubFixed bug in gmx wham for reading pullx files.
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2016-09-27 David van der SpoelFixed script xplor2gmx.pl to work with GMXDATA
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2016-09-08 Mark AbrahamMerge branch release-5-1 into release-2016
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2016-09-08 Mark AbrahamBumped patch number to prepare for future 5.1.5 release
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2016-09-07 Mark AbrahamVersion 5.1.4
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2016-09-07 Mark AbrahamRemoved HIS1 from oplsaa and charmm definitions
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2016-09-06 Mark AbrahamWork around glibc 2.23 with CUDA
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2016-09-02 Berk HessFix Parrinello-Rahman with nstpcouple>1
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2016-08-30 Berk HessMake virial reproducible
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2016-08-15 Mark AbrahamFixes for BG/Q platform files and install guide
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2016-08-15 Berk HessReduce FE pair-list memory usage
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2016-08-12 Mark AbrahamBump number to prepare for first patch release
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2016-08-04 Mark AbrahamVersion 2016
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2016-08-03 David van der SpoelThree new quotes.
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2016-08-03 Vedran MiletićUse only legal characters in OpenCL cache filename
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2016-07-29 Mark AbrahamImprove handling of gmock and gcc6
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2016-07-29 Mark AbrahamMerge branch release-5-1 into release-2016
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2016-07-29 David van der SpoelFixes incorrect charges in OPLS/AA-L for HISD and HISE
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2016-07-28 Mark AbrahamAdd toolchain flags for SSE2 compilation
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2016-07-21 Mark AbrahamBumped patch number to prepare for future 5.1.4 release
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2016-07-14 Mark AbrahamFix issues with using int for number of steps
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2016-07-13 Mark AbrahamVersion 5.1.3
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2016-07-12 Mark AbrahamFix trr magic number reading
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2016-07-11 Mark AbrahamFix gmx mdrun -membed -ntmpi -1
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2016-07-11 Erik LindahlFix membed with partial revert of 29943f
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2016-07-11 Michael ShirtsFix for incorrectly setting expanded ensemble when...
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2016-07-11 Mark AbrahamFix regressiontest download md5sum
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2016-07-09 Mark AbrahamFirst 2016 release candidate
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2016-07-09 Erik LindahlHardware detection clean-up and pre/post-processing
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2016-07-08 Jochen HubUpdated g_wham for the new pull setup
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2016-07-08 Mark AbrahamMerge branch release-5-1 into release-2016
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The ultimate molecular dynamics simulation package